Product Details
Chlorobenzene is a monocyclic aromatic hydrocarbon where one hydrogen atom on the benzene ring is replaced by a chlorine atom. It is synthesized via liquid-phase chlorination of benzene using a catalyst. At room temperature, chlorobenzene appears as a colorless, flammable liquid with a sweet almond‑like odor. It has a relatively high vapor pressure, a moderate octanol–water partition coefficient (log P ≈ 2.8), and low water solubility (497.9 mg/L at 25 °C). Chlorobenzene dissolves readily in nonpolar solvents but is nearly insoluble in water. Technical‑grade chlorobenzene is typically 99% pure, with impurities including less than 0.05% benzene and less than 0.1% dichlorobenzenes. It serves widely as a solvent and a key intermediate in chemical manufacturing. The bacterium Rhodococcus phenolicus can utilize chlorobenzene as its only carbon source for growth.
Chlorobenzene Chemical Properties
| Property | Value |
| Melting point | -45 °C (lit.) |
| Boiling point | 132 °C (lit.) |
| density | 1.106 g/mL at 25 °C (lit.) |
| vapor density | 3.86 (vs air) |
| vapor pressure | 11.8 mm Hg (25 °C) |
| refractive index | n20/D 1.524 (lit.) |
| Fp | 75 °F |
| storage temp. | 2-8°C |
| solubility | water: soluble 0.207 g/L at 20°C |
| form | Liquid |
| color | APHA: ≤30 |
| Odor | Almond like odour |
| PH | 7 (20°C) |
| Relative polarity | 0.188 |
| explosive limit | 1.3-11%(V) |
| Water Solubility | 0.4 g/L (20 ºC) |
| FreezingPoint | -45.6℃ |
| λmax | λ: 288 nm Amax: 1.0; λ: 290 nm Amax: 0.40; λ: 300 nm Amax: 0.05; λ: 325 nm Amax: 0.04; λ: 360-400 nm Amax: 0.01 |
| Merck | 14,2121 |
| BRN | 605632 |
| Henry's Law Constant | 1.11, 1.54, 1.81, 2.80, and 3.79 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME, Dewulf et al., 1999)(×10-3 atm·m3/mol) |
| Dielectric constant | 5.6（25℃） |
| Exposure limits | TLV-TWA 75 ppm (～345 mg/m3) (ACGIH, MSHA, OSHA, and NIOSH); IDLH 2400 ppm. |
| Stability: | Stable. Incompatible with oxidizing agents. Flammable. Attacks some types of plastics, rubber and coatings. |
| Major Application | food and beverages |
| InChI | 1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | MVPPADPHJFYWMZ-UHFFFAOYSA-N |
| SMILES | Clc1ccccc1 |
| LogP | 3 at 20℃ |
| Surface tension | 32.42mN/m at 298.15K |
| CAS DataBase Reference | 108-90-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, chloro-(108-90-7) |
| EPA Substance Registry System | Chlorobenzene (108-90-7) |
Safety Information
| Item | Details |
| Hazard Codes | Xn,N,T,F |
| Risk Statements | 10-20-51/53-40-39/23/24/25-23/24/25-11 |
| Safety Statements | 24/25-61-36/37-45-16-7 |
| RIDADR | UN 1134 3/PG 3 |
| WGK Germany | 2 |
| RTECS | CZ0175000 |
| F | 3-10 |
| Autoignition Temperature | 590 °C |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29039190 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation; Aquatic Chronic 2; Flam. Liq. 3; Skin Irrit. 2 |
| Hazardous Substances Data | 108-90-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 2000 - 4000 mg/kg |
| IDLA | 1,000 ppm |
Product Application Of Chlorobenzene CAS#108-90-7
As a halogenated benzene derivative, chlorobenzene is used as a solvent in paints, a heat transfer fluid, and an intermediate in producing phenol, aniline, and nitrochlorobenzenes. Current major uses include solvent for pesticide formulations, production of diisocyanates, degreasing of automotive components, synthesis of nitrochlorobenzene, and QSAR studies related to agricultural pollution.
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