Products Description of Coking Benzene CAS#71-43-2
Coking benzene , with molecular formula C₆H₆, is a colourless, volatile aromatic liquid sourced as a by-product from coal coking processes. It carries a characteristic sweet aromatic odour, featuring a boiling point of 80.1°C. This product is barely soluble in water yet fully miscible with ethanol, ether and most organic solvents.
As a fundamental aromatic raw material, it shares the same chemical identity as petroleum benzene and serves as a key intermediate for producing styrene, phenol, cyclohexane, aniline and other downstream chemicals. It is highly flammable and toxic, so strict fire prevention and personal protection are required during storage, transportation and handling.
Coking Benzene Chemical Properties
| Melting point | 5.53 °C (41.95 °F; 278.68 K) |
| Boiling point | 80.1 °C (176.2 °F; 353.2 K) |
| Density | 0.8765(20) g/cm3 |
| vapor density | 2.77 (vs air) |
| vapor pressure | 166 mm Hg ( 37.7 °C) |
| refractive index | 1.5011 (20 °C); 1.4948 (30 °C) |
| Flash point | −11.63 °C (11.07 °F; 261.52 K) |
| storage temp. | room temp |
| solubility | Miscible with alcohol, chloroform, dichloromethane, diethyl ether, acetone and acetic acid. |
| pka | 43(at 25℃) |
| form | liquid |
| color | Colorless |
| Relative polarity | 0.111 |
| Odor | Paint-thinner-like odor detectable at 12 ppm |
| explosive limit | 1.4-8.0%(V) |
| Odor Threshold | 2.7ppm |
| Water Solubility | 0.18 g/100 mL |
| Thermal Conductivity | 0.1412 W/(m·K) at 25 ℃ |
| Specific Heat Capacity | Cp(liquid): 1.74 J/(g·K); Cp(gas): 1.05 J/(g·K), at 25℃ |
| ex/em | λex 255 nm; λem 303 nm in cyclohexane |
| λmax | λ: 280 nm Amax: 1.0 λ: 290 nm Amax: 0.15 λ: 300 nm Amax: 0.06 λ: 330 nm Amax: 0.02 λ: 350-400 nm Amax: 0.01 |
| Merck | 14,1066 |
| BRN | 969212 |
| Henry's Law Constant | 10.4 at 45.00 °C, 11.4 at 50.00 °C, 13.3 at 55.00 °C, 14.5 at 60.00 °C, 16.8 at 65.00 °C, 19.2 at 70.00 °C (static headspace-GC, Park et al., 2004) |
| Dielectric constant | 2.3(20℃) |
| Exposure limits | ACGIH TLV-TWA:0.02 ppm OSHA PEL-TWA:10 ppm (～32 mg/m3);PEL-Ceiling:25 ppm (～80 mg/m3);PEL-peak:50 ppm (～160 mg/m3)/10 min/8 h NIOSH REL-TWA:0.1 ppm;REL-STEL:1 ppm |
| Stability | Stable. Substances to be avoided include strong oxidizing agents, sulfuric acid, nitric acid, halogens. Highly flammable. |
| InChI | 1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
| InChIKey | UHOVQNZJYSORNB-UHFFFAOYSA-N |
| SMILES | c1ccccc1 |
| EPA Primary Drinking Water Standard | MCL:0.005,MCLG:zero |
| LogP | 2.130 |
| Surface tension | 28.891mN/m at 293.15K |
| Toxicology and Carcinogenesis | Toxicology and Carcinogenesis Studies of Benzene (CASRN 71-43-2) in F344/N Rats and B6C3F1 Mice (Gavage Studies) |
| Substances Added to Food (formerly EAFUS) | BENZENE |
| REACH Annex XVII Substances List | Benzene (71-43-2) |
| FDA 21 CFR | 175.105 |
| CAS DataBase Reference | 71-43-2(CAS DataBase Reference) |
| EWG's Food Scores | 10 |
| NCI Dictionary of Cancer Terms | benzene |
| FDA UNII | J64922108F |
| Proposition 65 List | Benzene |
| NIST Chemistry Reference | Benzene(71-43-2) |
| IARC | 1 (Vol. 29, Sup 7. 100F, 120) 2018 |
| EPA Substance Registry System | Benzene (71-43-2) |
| Toxicological Profile|ATSDR | Benzene|Toxicological Profile|ATSDR |
| UNSPSC Code | 77101502 |
| NACRES | NA.24 |
Safety Information
| Signal word | Danger |
| Hazard statements | H302-H315-H319-H361-H372-H370-H340-H350-H336-H304-H401-H412-H225 |
| Precautionary statements | P501-P273-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 |
| target organs | Blood |
| Hazard Codes | F,T |
| Risk Statements | 45-46-11-36/38-48/23/24/25-65-39/23/24/25-23/24/25 |
| Safety Statements | 53-45-36/37-16-7 |
| RIDADR | UN 1114 |
| OEB | E |
| OEL | TWA: 0.1 ppm, STEL: 1 ppm |
| WGK Germany | 3 |
| RTECS | CY1400000 |
| F | 3-10 |
| Autoignition Temperature | 560 °C |
| TSCA | TSCA listed |
| HS Code | 2902 20 00 |
| HazardClass | 3 |
| PackingGroup | II |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Chronic 3 Asp. Tox. 1 Carc. 1A Eye Irrit. 2 Flam. Liq. 2 Muta. 1B Skin Irrit. 2 STOT RE 1 |
| Hazardous Substances Data | 71-43-2(Hazardous Substances Data) |
| Toxicity | LD50 orally in young adult rats: 3.8 ml/kg (Kimura) |
| IDLA | 500 ppm |
| REACH Registrations | Active |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Product Application of Coking Benzene CAS#71-43-2
Coking benzene acts as a core aromatic intermediate in the chemical industry. It is mainly adopted for the synthesis of styrene, which is further processed into polystyrene, ABS resin and synthetic rubber. It can also be converted into phenol for phenolic resin production, and into cyclohexane to manufacture nylon and related synthetic fibres.
Besides, it is used to prepare aniline, nitrobenzene and other fine chemical materials. It can function as a solvent in some industrial formulation systems. It participates in the preparation of caprolactam, supporting the production of nylon-6 products. It also finds limited use in the manufacturing of dyes and pharmaceutical intermediates. It is an irreplaceable basic raw material for coal chemical downstream chains.
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