Coking Benzene CAS#71-43-2

CAS Number: 71-43-2

Chemical Formula:C6H6

Synonyms:

(6)annulene;

1,3,5-Cyclohexatriene;

Annulene;

Benzeen;

Benzen;

Appearance: Colorless clear liquid

HS Code: 29022000

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)


Product Details

Products Description of Coking Benzene CAS#71-43-2

Coking benzene, molecular formula C₆H₆, is a colourless volatile aromatic liquid obtained as a by-product from coal coking. It emits a distinctive sweet aromatic scent, with a boiling point of 80.1°C. The compound shows negligible solubility in water, while it can mix freely with ethanol, ether and a wide range of organic solvents.

It is an essential aromatic feedstock, chemically identical to petroleum benzene. It acts as a vital intermediate to manufacture styrene, phenol, cyclohexane, aniline and other downstream chemical products. This substance is highly flammable and toxic. Strict fire control measures and proper personal protective equipment must be adopted throughout storage, transportation and operation procedures.


Parameters

Melting point5.53 °C (41.95 °F; 278.68 K)
Boiling point80.1 °C (176.2 °F; 353.2 K)
Density0.8765(20) g/cm3
vapor density2.77 (vs air)
vapor pressure166 mm Hg ( 37.7 °C)
refractive index1.5011 (20 °C); 1.4948 (30 °C)
Flash point−11.63 °C (11.07 °F; 261.52 K)
storage temp.room temp
solubilityMiscible with alcohol, chloroform, dichloromethane, diethyl ether, acetone and acetic acid.
pka43(at 25℃)
formliquid
colorColorless
Relative polarity0.111
OdorPaint-thinner-like odor detectable at 12 ppm
explosive limit1.4-8.0%(V)
Odor Threshold2.7ppm
Water Solubility0.18 g/100 mL
Thermal Conductivity0.1412 W/(m·K) at 25 ℃
Specific Heat CapacityCp(liquid): 1.74 J/(g·K); Cp(gas): 1.05 J/(g·K), at 25℃
ex/emλex 255 nm; λem 303 nm in cyclohexane
λmaxλ: 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
Merck14,1066
BRN969212
Henry's Law Constant10.4 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 constant2.3(20℃)
Exposure limitsACGIH 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
StabilityStable. Substances to be avoided include strong oxidizing agents, sulfuric acid, nitric acid, halogens. Highly flammable.
InChI1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKeyUHOVQNZJYSORNB-UHFFFAOYSA-N
SMILESc1ccccc1
EPA Primary Drinking Water StandardMCL:0.005,MCLG:zero
LogP2.130
Surface tension28.891mN/m at 293.15K
Toxicology and CarcinogenesisToxicology 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 ListBenzene (71-43-2)
FDA 21 CFR175.105
CAS DataBase Reference71-43-2(CAS DataBase Reference)
EWG's Food Scores10
NCI Dictionary of Cancer Termsbenzene
FDA UNIIJ64922108F
Proposition 65 ListBenzene
NIST Chemistry ReferenceBenzene(71-43-2)
IARC1 (Vol. 29, Sup 7. 100F, 120) 2018
EPA Substance Registry SystemBenzene (71-43-2)
Toxicological Profile|ATSDRBenzene|Toxicological Profile|ATSDR
UNSPSC Code77101502
NACRESNA.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 organsBlood
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
OEBE
OELTWA: 0.1 ppm, STEL: 1 ppm
WGK Germany 3
RTECS CY1400000
F 3-10
Autoignition Temperature560 °C
TSCA TSCA listed
HS Code 2902 20 00
HazardClass 3
PackingGroup II
Storage Class3 - Flammable liquids
Hazard ClassificationsAquatic Chronic 3
Asp. Tox. 1
Carc. 1A
Eye Irrit. 2
Flam. Liq. 2
Muta. 1B
Skin Irrit. 2
STOT RE 1
Hazardous Substances Data71-43-2(Hazardous Substances Data)
ToxicityLD50 orally in young adult rats: 3.8 ml/kg (Kimura)
IDLA500 ppm

Product Application of Coking Benzene CAS#71-43-2

Coking benzene serves as a key aromatic intermediate within the chemical sector. It is primarily utilized to synthesize styrene, which is then converted into polystyrene, ABS resin and synthetic rubber. It may also be transformed into phenol for phenolic resin manufacturing, as well as cyclohexane for the production of nylon and associated synthetic fibres.

Additionally, it supports the production of aniline, nitrobenzene and other fine chemical raw materials, and can be applied as a solvent in certain industrial formulations. It is involved in the synthesis of caprolactam, facilitating the manufacture of nylon-6. It also has minor applications in dye production and pharmaceutical intermediate preparation. It remains an indispensable basic feedstock for the downstream coal chemical industry chain.


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