Benzene
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Benzene
structure -
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CAS No:
71-43-2
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Formula:
C6H6
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Chemical Name:
Benzene
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Synonyms:
Benzene;Benzol;Coal naphtha;Cyclohexatriene;Phene;Phenyl hydride;Pyrobenzol;Benzole;Pyrobenzole;[6]Annulene;1,3,5-Cyclohexatriene;NSC 67315;54682-86-9;174973-66-1;1053658-43-7;1173023-23-8
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CAS No:
Description
Benzene is a natural constituent of crude oil, and is one of the most elementary petrochemicals. It is used mainly as an intermediate to make other chemicals. About 80% of benzene is consumed in the production of three chemicals, ethylbenzene, cumene, and cyclohexane. As a gasoline (petrol) additive, benzene increases the octane rating and reduces knocking.
Characteristics
0
1.6866
clear colorless liquid with a petroleum-like odor
0.8786
5.5ºC
80ºC
-11ºC
1.5011
0.18 g/100 mL
0-6ºC
166 mm Hg ( 37.7 °C)
2.77 (vs air)
Safety Information
II
3
3
R45; R46; R11; R36/38; R48/23/24/25; R65
CY1400000
F
Stable. Substances to be avoided include strong oxidizing agents, sulfuric acid, nitric acid, halogens. Highly flammable.
S53-S45
UN 1114 3/PG 2
P201; P210; P280; P308 + P313; P370 + P378; P403 + P235
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| SKIN/EYE IRRITATION DATA | Open irritation test | Administration onto the skin | Rodent - rabbit | 15 mg/24H | -- | American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 |
| SKIN/EYE IRRITATION DATA | Standard Draize test | Administration onto the skin | Rodent - rabbit | 20 mg/24H | -- | Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,25,1986 |
| SKIN/EYE IRRITATION DATA | Standard Draize test | Administration into the eye | Rodent - rabbit | 88 mg | -- | AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 14,387,1956 |
Computed Properties
Molecular Weight:78.11
XLogP3:2.1
Exact Mass:78.0469501914
Monoisotopic Mass:78.0469501914
Heavy Atom Count:6
Complexity:15.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
- Data: 2026-07-17
- Price: 7836.67Yuan/mt
- Change: 43.33
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