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| HS Code | 426966 |
| Chemical Formula | C6H5Cl |
| Molecular Weight | 112.56 g/mol |
| Cas Number | 108-90-7 |
| Appearance | Colorless liquid |
| Odor | Faint almond-like odor |
| Density | 1.106 g/cm3 at 20°C |
| Melting Point | -45.2 °C |
| Boiling Point | 131.7 °C |
| Flash Point | 29 °C (closed cup) |
| Solubility In Water | 0.5 g/L at 20°C |
| Refractive Index | 1.5241 at 20°C |
As an accredited Chlorobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Chlorobenzene is supplied in 200-litre steel drums, securely sealed, labeled for hazardous chemicals, and palletized for safe transport. |
| Container Loading (20′ FCL) | Load chlorobenzene in 20′ FCL using approved drums/IBCs, securely braced, labeled UN1134 flammable liquid, with proper ventilation. |
| Shipping | Chlorobenzene is transported as a flammable, toxic liquid under UN 1134, Hazard Class 3, Packing Group III. Use dedicated, grounded containers with corrosion-resistant linings. Store away from oxidizers and ignition sources. Ensure proper labeling, ventilation, and spill containment to protect personnel and the environment. |
| Storage | Store chlorobenzene in a cool, dry, well-ventilated area away from heat, open flames, and strong oxidizers. Use tightly sealed, grounded containers to prevent static discharge. Protect from direct sunlight and ensure secondary containment to avoid spills. Label clearly and follow local hazardous material regulations. |
| Shelf Life | Chlorobenzene is stable for years when stored in a sealed container away from light, moisture, and extreme heat. |
Mononitrochlorobenzene production is the largest chlorobenzene-consuming platform and its process control target is not conversion but para-to-ortho selectivity. A typical mixed-acid feed carries nitric acid at 30–35 wt%, sulfuric acid at 55–60 wt%, and water at 5–10 wt%; chlorobenzene is charged against nitric acid at a molar ratio of 1.0:1.02 to 1.0:1.08 to avoid free nitric acid carryover while limiting dinitrochlorobenzene formation to 0.3–0.8 wt% of crude nitro mass. The nitration step is held at 45–55 °C in a baffled nitrator with internal coil cooling and forced loop circulation; at 60–65 °C the ortho substitution rate accelerates faster than para substitution, shrinking the 4-nitrochlorobenzene fraction from 66–68 wt% to 60–63 wt% and raising 2-nitrochlorobenzene from 31–33 wt% to 36–38 wt%. This temperature-dependent isomer ratio is managed by staged chlorobenzene addition and by circulation rates sized to remove 0.8–1.2 MJ of reaction heat per kilogram of chlorobenzene. Compliance instruments for this segment include REACH registration for nitrochlorobenzenes, Seveso III Directive 2012/18/EU nitric acid inventory thresholds, and REACH Annex XVII Entry 43 when derived azo colorants are placed on the EU market; production sites also align ISO 9001 batch traceability and ISO 14001 wastewater controls for nitroaromatic discharge. Downstream reduction of 4-nitrochlorobenzene to 4-chloroaniline or 4-aminodiphenylamine typically runs with alcohol-water reduction mixtures at solvent ratios of 3.5–5.0 L per kilogram of nitrocompound, followed by catalytic hydrogenation or iron reduction; 2-nitrochlorobenzene is methoxylated to 2-anisidine under caustic methanol conditions at 70–90 °C. Terminal output spans disperse azo dyestuffs, rubber antioxidants, agrochemical building blocks, and para-chain pharmaceutical intermediates where 4-nitrochlorobenzene purity above 99.5 wt% is a procurement specification.
Diphenyl oxide production from chlorobenzene is operationally smaller than nitration but thermally stringent because the Ullmann etherification step tolerates water only at trace concentrations. The charge is built from sodium phenoxide and chlorobenzene at a molar ratio of 1.00:1.05 to 1.00:1.10, with a copper catalyst loading of 0.2–0.5 mol% relative to phenoxide; the catalyst is typically cuprous chloride or copper powder dispersed in the phenoxide phase. The reactor sequence removes water from the phenoxide preparation by azeotropic distillation at 130–140 °C before the reaction temperature is raised to 190–210 °C, where sodium chloride precipitates and drives conversion; vacuum stripping at 50–80 hPa recovers unreacted chlorobenzene for recycle and the crude diphenyl oxide is washed, neutralized, and rectified to 99.0–99.5 wt% assay before blending. Compliance for the heat-transfer-fluid chain references ASTM D6743-20 thermal stability testing, REACH registration for diphenyl oxide, and vessel design codes under ISO 13705:2012 where the resulting fluid is charged to fired heaters; formulations containing brominated diphenyl oxide derivatives fall under flame-retardant registrations and electrical equipment restrictions where market authorizations remain active. Terminal products include eutectic heat transfer fluids blended at 26.5 wt% biphenyl and 73.5 wt% diphenyl oxide for liquid-phase service from 12 °C to 400 °C, brominated diphenyl oxide flame retardants used in polymer compounding, and fragrance intermediates produced by electrophilic substitution on the phenoxy ring.
4,4′-Dichlorodiphenyl sulfone manufacturing consumes chlorobenzene in a two-stage sulfonation-condensation sequence where water accumulation stalls the second aryl addition. The initial sulfonation charge uses chlorobenzene to sulfuric acid at a molar ratio near 2.0:1.0, with recycle-adjusted fresh chlorobenzene feed at 2.2–2.5:1.0 to compensate for entrainer losses; oleum at 10–20 wt% free SO3 is used to promote 4-chlorobenzenesulfonic acid formation. The condensation stage is held at 190–230 °C under continuous chlorobenzene reflux, returning chlorobenzene to the reactor at 160–180 °C while water is removed as the chlorobenzene-water azeotrope. Reaction progress is tracked by acid number decline or HPLC for residual 4-chlorobenzenesulfonic acid, with endpoint commonly below 0.5 wt% residual acid before neutralization and distillation. The monomer is then used in nucleophilic aromatic substitution polymerization with bisphenol A or bisphenol S at 160–180 °C in aprotic solvents such as dimethyl sulfoxide, with toluene azeotropic drying before addition of the bisphenol sodium salt; polymer molecular weight is controlled by stoichiometric imbalance and monitored by melt flow index. Regulatory anchors for this segment include REACH registration obligations for the monomer, ISO 10993-1:2018 biological evaluation for medical-grade polysulfone and polyethersulfone, and pharmaceutical water-filter membrane specifications; where food-contact claims are made, finished polysulfone articles must meet applicable migration limits under food-contact legislation such as FDA 21 CFR 177.2500, not the monomer assay alone. Terminal finished products include hemodialyzer membranes, sterile filtration cartridges, aerospace interior panels, and high-temperature electrical connectors with continuous-use temperatures above 150 °C.
Direct conversion of chlorobenzene to phenylchlorosilanes is a low-volume, high-capital branch in which silicon-copper contact mass selectivity determines whether the product stream is viable for phenyl silicone resins or is diverted to lower-value chlorosilane coproducts. The contact mass is prepared from metallurgical silicon and copper catalyst at a silicon-to-copper mass ratio of 90:10 to 95:5, with copper introduced as cuprous chloride or cupric oxide and reduced in situ; activation proceeds at 300–350 °C under a chlorobenzene-hydrogen chloride stream before production temperatures are stabilized in the 400–450 °C range in a fluidized bed reactor. Chlorobenzene is vaporized and fed at a molar excess of 1.5:1 to 3:1 over silicon to control bed agglomeration, with chlorobenzene recycle-to-fresh-feed mass ratios of 2:1 to 4:1 because single-pass silicon conversion remains deliberately incomplete. The primary product split contains phenyltrichlorosilane as the dominant phenylchlorosilane and diphenyldichlorosilane as the secondary aryl species; methylchlorosilane contamination is prevented by excluding methyl chloride from the feed system. Product recovery proceeds through fractional distillation with the phenyltrichlorosilane cut at 201 °C and the diphenyldichlorosilane cut at 305 °C; moisture exclusion below 100 ppm in transfer lines is required to prevent silanol gel formation. Regulatory alignment for this segment follows REACH registration for phenylchlorosilanes, ISO 9001 for catalyst batch traceability, and explosion prevention under ATEX Directive 2014/34/EU for equipment handling flammable chlorosilane vapors. Terminal products include phenyl silicone resins for high-temperature electrical insulation, LED encapsulants, water-repellent coatings, and phenyl-modified siloxane fluids used in vacuum pumps and heat-resistant release agents.
Pharmaceutical supply chains consume chlorobenzene as a phenyl anion precursor, but the operational boundary is set by residual solvent control rather than reaction yield. The Grignard formation uses chlorobenzene-to-magnesium molar ratios of 1.0:1.05 to 1.0:1.1, with magnesium turnings sized to 100–500 µm to balance initiation rate and surface passivation; anhydrous tetrahydrofuran or 2-methyltetrahydrofuran is charged at 5–8 L per kilogram of chlorobenzene, and the system is maintained below 50 ppm water under nitrogen or argon. Initiation is triggered with iodine at 0.1–0.3 mol% of chlorobenzene or with diisobutylaluminium hydride at 0.5–1.0 mol%, then the remaining chlorobenzene is fed semi-batch to hold the pot temperature at 40–60 °C. The resulting phenylmagnesium chloride is filtered from magnesium chloride and unreacted magnesium before addition to a carbonyl electrophile; addition is conducted at −20 °C to 25 °C depending on the ketone or ester substrate, and the quench protocol is designed to avoid acid-catalyzed chlorobenzene retention in the crude product oil. The defining compliance constraint is ICH Q3C Class 2, which assigns chlorobenzene a permitted daily exposure of 3.6 mg/day and a drug substance concentration limit of 360 ppm; API batches therefore require gas chromatographic headspace confirmation against the relevant pharmacopoeial residual solvent method, such as Ph. Eur. 2.4.24, and solvent swap alone is generally insufficient to meet the limit for high-dose oral products. Terminal product types span tertiary alcohol APIs, aryl ketone intermediates, and veterinary or human drug substances where a phenyl group is installed via nucleophilic addition; the route is selected when organolithium alternatives are incompatible with functional groups in the electrophile.
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Monochlorobenzene (MCB, CAS 108-90-7, C6H5Cl, molar mass 112.56 g/mol) is supplied as technical-grade MCB and low-water high-purity MCB for downstream syntheses and solvent applications. A representative bulk specification gives a minimum purity of 99.8 wt%, residual benzene below 0.05 wt%, and water below 0.02 wt%. The liquid is clear, low-viscosity, and aromatic, with a normal boiling point of 131.7 °C at 101.3 kPa, density of 1.107 g/cm³ at 20 °C, melting point of −45.6 °C, and closed-cup flash point of approximately 29 °C. Commercial packaging includes carbon steel drums, ISO tank containers, railcars, and bulk vessels under nitrogen padding. The largest volume is consumed as an intermediate for nitrochlorobenzenes, diphenyl oxide, and phenylphenol; a smaller fraction is used as a reaction solvent in polysulfone polymerization, Friedel-Crafts acylation, and specialty coatings. The chlorine substituent reduces ring reactivity compared with benzene but retains sufficient activation for nitration and sulfonation under controlled mixed-acid conditions.
Direct chlorination of benzene with chlorine gas in the presence of a Lewis acid catalyst generates monochlorobenzene together with hydrogen chloride and successive chlorination products. Selectivity is controlled by maintaining excess benzene relative to chlorine; when benzene conversion is kept low, the ortho- and para-dichlorobenzene fractions are minimized. In a continuous train, dried benzene and chlorine are contacted in a mechanically agitated reactor or bubble column at low pressure and at a temperature below the boiling point of benzene. The heat of chlorination is removed by external recirculation through a shell-and-tube exchanger. Ferric chloride is generated in situ from chlorine and steel surfaces or added as anhydrous FeCl3. The reactor effluent is washed, neutralized, and sent to a distillation sequence in which unreacted benzene is recovered overhead and recycled, monochlorobenzene is drawn as the main cut, and mixed dichlorobenzenes are removed as a higher-boiling stream. Impurity limits in the final product are therefore governed less by reaction conversion than by the ability of the benzene recovery column and monochlorobenzene finishing column to separate close-boiling chlorinated aromatics.
In the distillation train, residual water and acidity must be controlled to prevent corrosion and product degradation. The monochlorobenzene product column is specified with sufficient theoretical stages to reduce the dichlorobenzene concentration to below 0.10 wt%. Overhead pressure is maintained slightly above atmospheric to allow condensation with cooling water. Water present in the feed is removed as a heterogeneous azeotrope with benzene in the first column; if the water content of dried benzene exceeds 0.02 wt%, the overhead system can accumulate a separate water phase and destabilize reflux. Published data for specific column stage counts and proprietary feed tray configurations is limited, but plant operating experience indicates that reboiler fouling from iron chloride solids becomes a recurring bottleneck when upstream washing is bypassed. The main operational incompatibility in the storage and overhead loop is with copper and aluminum alloys, which can accelerate sludge formation; 316L stainless steel or lined carbon steel is used instead.
| Parameter | Typical technical-grade limit | Test method |
|---|---|---|
| Purity | 99.8 wt% min | ASTM D6806 |
| Benzene | 0.05 wt% max | ASTM D6806 |
| Dichlorobenzenes | 0.10 wt% max | ASTM D6806 |
| Water | 0.02 wt% max | ASTM D1364 |
| Color, Pt-Co | 20 max | ASTM D1209 |
| Acidity as HCl | 0.001 wt% max | ASTM D1613 |
| Distillation range at 101.3 kPa | 131.0–132.0 °C | ASTM D1078 |
| Density at 20 °C | 1.106–1.110 g/cm³ | ASTM D4052 |
| Nonvolatile matter | 0.002 wt% max | ASTM D1353 |
Low-water grades for polysulfone polymerization and pharmaceutical extraction may require water below 0.005 wt% and iron below 0.0005 wt%, with additional filtration through activated alumina or molecular sieves before charging.
Monochlorobenzene is selected over toluene in Friedel-Crafts acylation when the reaction charge contains an acid chloride and anhydrous aluminum chloride. The chlorine substituent raises the dielectric constant relative to toluene and improves the solubility of the aluminum chloride–acid chloride complex. Reactions are carried out in glass-lined carbon steel vessels with reflux condensers and scrubbed hydrogen chloride vent lines. The operating range is bounded by the atmospheric boiling point of 131.7 °C; higher-temperature acylations require o-dichlorobenzene as a higher-boiling alternative. Because aluminum chloride is hydrolyzed by water, chlorobenzene feed for acylation is pre-dried to below 0.01 wt% water and the reactor is purged with dry nitrogen. Compared with methylene chloride, monochlorobenzene provides a higher reaction temperature without elevated pressure; compared with toluene, it reduces solvent alkylation by chloromethylated intermediates. The main limitation is the lower volatility that increases solvent removal energy and the need for chloride-resistant seals and elastomers in the recovery loop.
In polysulfone and polyethersulfone manufacturing, monochlorobenzene is used as the polymerization solvent and azeotropic water-removal agent for the condensation of bisphenol A or 4,4′-biphenol with 4,4′-dichlorodiphenyl sulfone. Potassium carbonate or sodium hydroxide is used as the base, and the chlorobenzene-water azeotrope is returned through a Dean-Stark trap. The water-chlorobenzene heteroazeotrope boils at approximately 90 °C and contains roughly 28 wt% water, allowing water removal below the boiling point of the polymer solution. The polymer solution becomes progressively more viscous as molecular weight increases; high-viscosity reactors with helical ribbon impellers must be operated to maintain homogeneous dispersion and heat transfer. If the water layer is not separated efficiently, hydrolysis of the sulfone monomer and molecular weight collapse are observed on production-scale lines. The solvent also keeps growing polymer chains in solution at high solids and avoids premature precipitation that would limit chain extension.
Nitration of monochlorobenzene is performed with mixed acid in continuous nitrators. Para-nitrochlorobenzene and ortho-nitrochlorobenzene are the commercial isomers, while meta-nitrochlorobenzene remains below 1 wt% under normal conditions. Conventional mixed-acid nitration gives a para-to-ortho ratio near 2:1; the ratio shifts with temperature, sulfuric acid concentration, and residence time. Para-nitrochlorobenzene is the required intermediate for p-aminophenol, 4-nitroaniline, and 4,4′-diaminodiphenyl ether, whereas the ortho isomer is separated for agrochemical and dye intermediates. The crude isomer mixture is separated by fractional distillation and crystallization; the para isomer is recovered from the crystallizer mother liquor after the ortho-rich distillate is removed. Process control is critical because the two isomers have similar boiling points and the melt crystallization step is sensitive to feed purity. Trace dichlorobenzene carried into the nitrator can form higher-boiling chloronitrobenzene derivatives that increase distillation bottoms and reduce para-isomer yield.
| Parameter | Monochlorobenzene | o-Dichlorobenzene | p-Dichlorobenzene | Tetrachloroethylene |
|---|---|---|---|---|
| Molar mass (g/mol) | 112.56 | 147.00 | 147.00 | 165.83 |
| Boiling point at 101.3 kPa (°C) | 131.7 | 180.5 | 174.1 | 121.2 |
| Melting point (°C) | −45.6 | −17.0 | 53.1 | −22.3 |
| Density at 20 °C (g/cm³) | 1.107 | 1.306 | 1.248 | 1.623 |
| Flash point closed cup (°C) | 29 | 66 | 66 | not flammable |
| Water solubility at 20 °C (g/L) | ≈0.5 | ≈0.13 | ≈0.08 | ≈0.15 |
| Typical role | solvent and intermediate | higher-boiling solvent | solid deodorant, moth control | vapour degreasing |
Selection between these products is governed primarily by boiling point and flash point. o-Dichlorobenzene is used when the process requires a liquid range above 150 °C without pressure; its higher density and lower evaporation rate reduce VOC losses but increase solvent removal costs. p-Dichlorobenzene is a solid at ambient temperature and is handled as molten or flaked product, making it unsuitable for liquid-phase reactions. Tetrachloroethylene is non-flammable and has a lower boiling point, but its high density and perchlorinated structure can introduce chloride stress corrosion in aluminum and titanium systems. Compared with these products, monochlorobenzene sits at the lower end of the chlorinated aromatic boiling range and remains a pumpable liquid at low temperatures because its melting point is −45.6 °C. In solvent applications where flash point is a critical control parameter, 29 °C closed cup requires explosion-proof electrical classification and nitrogen blanketing; dichlorobenzenes delay those requirements until above 66 °C.
Storage and handling require closed transfer under nitrogen, earthing, and bonding because the flash point is 29 °C. Carbon steel and 316L stainless steel are standard materials; aluminum, zinc, and galvanized equipment should be excluded because chlorinated solvents can react with these metals under acidic or moist conditions. Chlorobenzene is not compatible with strong oxidizers, strong acids, or alkali metals. Vapour pressure at 20 °C is approximately 1.2 kPa, which places the product under volatile organic compound control in many air-quality management districts. Under 29 CFR 1910.1000 Table Z-1, the OSHA permissible exposure limit for monochlorobenzene is 75 ppm as an 8-hour time-weighted average; the ACGIH threshold limit value is 10 ppm as an 8-hour time-weighted average. Monochlorobenzene is registered under REACH with EC number 203-628-5 and is classified as a flammable liquid, acute inhalation toxicant, skin irritant, and eye irritant under Regulation (EC) No 1272/2008.
