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Benzene

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Benzene

EINECS 200-753-7
CAS No. 71-43-2 Density 0.873 g/cm3
Solubility 0.18 g/100 mL in water Melting Point 5.5 °C
Formula C6H6 Boiling Point 78.834 °C at 760 mmHg
Molecular Weight 78.11 Flash Point -11 °C
Transport Information UN 1114 3/PG 2 Appearance clear colorless liquid with a petroleum-like odor
Safety 53-45-36/37 Risk Codes 45-46-11-36/38-48/23/24/25-65-39/23/24/25-23/24/25
Molecular Structure Molecular Structure of 71-43-2 (Benzene) Hazard Symbols FlammableF,ToxicT
Synonyms

1,3,5-Cyclohexatriene;Benzol;Benzole;Coal naphtha;Cyclohexatriene;NSC 67315;Phene;Phenylhydride;Pyrobenzol;Pyrobenzole;[6]Annulene;crude benzene;

 

Benzene Specification

Benzene, also kanow as (6)Annulene, is clear colorless, highly flammable liquid with a petroleum-like odor. It evaporates into the air very quickly. Benzene is a natural constituent of crude oil, and is one of the most basic petrochemicals. It is widely used as solvent and precursor in a range of products. By substitution, addition reaction and benzene ring rupture reaction, many important chemical intermediates can be derived.

Benzene is insoluble in water. In addition to glycerol, ethylene glycol, diethylene glycol, 1,4 - butanediol and other polyols, Benzene can be miscible with alcohol, chloroform, ether, carbon tetrachloride, carbon disulfide, glacial acetic acid, acetone, toluene, xylene, aliphatic hydrocarbon and most organic solvents. With the exception of slightly dissolved iodine and sulfur, the inorganic substance is insoluble in benzene.

Preparation: The production and supply of benzene in different countries and regions are not the same. The United States is mainly get the benzene from the restructuring gasoline. The Western Europe is mainly from pyrolysis gasoline. And China is mainly from the restructuring gasoline and coking by-product.

1. Coking by-product: There is part of benzene in the high temperature tar of coking by-product. After some treamtent, benzene is obtained.

2. Pyrolysis gasoline: Benzene The pyrolysis gasoline generally contains about 40% -70% aromatic hydrocarbon. About 37% of aromatic hydrocarbon is benzene, about 14% is toluene, and about 5% is xylene. Benzene can be extracted by hydrogenation and dealkylation.

3. Benzene also can be prepared by toluene from hydrodealkylation. In this hydrogen-intensive process, toluene is mixed with hydrogen. Then in the presence of catalysts Chromium, Molybdenum or Platinum oxide, the reaction happens at 500–600 °C and 40–60 atm pressure. A typical reaction yield exceeds 95 %.
C6H5CH3 + H2 → C6H6 + CH4

Uses: 1. Benzene is used as important raw material of synthetic dye, synthetic rubbers, synthetic resin, synthetic fiber, synthetic grain, plastics, pharmaceuticals, pesticides, photographic film and petrochemical products. Benzene has good solubility, so it is widely used as adhesive and industrial solvent such as lacquer thinner of varnish and nitrocellulose, paint remover, lubricant, grease, wax, celluloid, resin, leather.

2. Benzene is also used as standard sample in the measurment of refractive index. And it can be used as solvent and cleaning agent in precision optical instruments, electronics and so on.

3. It is used as solvent of cosmetics, paint, rubber, glue, etc. Today, benzene is used mainly as an intermediate to make other chemicals. For example: it can react with azidobenzene to get diphenylamine. This reaction needs reagent at temperature of 55 °C. The reaction time is 1 hours. The yield is 82%.

Benzene can react with azidobenzene to get diphenylamine

Safty: Benzene is toxic by inhalation, in contact with skin and if swallowed. Moreover, it is harmful that may cause lung damage if swallowed. In addition, Benzene has danger of very serious irreversible effects and serious damage to health by prolonged exposure that may cause heritable genetic damage. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Please avoid exposure - obtain special instructions before use.

Structure Descriptors:
1. Smiles:c1ccccc1
2. InChI:InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H

Toxicity:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 170000mg/m3 (170000mg/m3)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 324, 1955.
dog LCLo inhalation 146000mg/m3 (146000mg/m3)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 324, 1955.
dog LDLo oral 2gm/kg (2000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.
frog LDLo subcutaneous 1400mg/kg (1400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.
guinea pig LD50 skin > 9400uL/kg (9.4mL/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
guinea pig LDLo intraperitoneal 527mg/kg (527mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 42, 1955.
human LCLo inhalation 65mg/m3/5Y (65mg/m3) BLOOD: OTHER CHANGES Archiv fuer Geschwulstforschung. Vol. 44, Pg. 145, 1974.
human LCLo inhalation 2pph/5M (20000ppm)   Tabulae Biologicae. Vol. 3, Pg. 231, 1933.
human TCLo inhalation 100ppm (100ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: NAUSEA OR VOMITING
Industrial Medicine. Vol. 17, Pg. 199, 1948.
mammal (species unspecified) LCLo inhalation 20000ppm/5M (20000ppm)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 138, Pg. 65, 1928.
mammal (species unspecified) LD50 oral 5700mg/kg (5700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mammal (species unspecified) LDLo intraperitoneal 1500mg/kg (1500mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
American Journal of Hygiene. Vol. 7, Pg. 276, 1927.
man LDLo oral 50mg/kg (50mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.
man LDLo unreported 194mg/kg (194mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man TCLo inhalation 150ppm/1Y-I (150ppm) BLOOD: OTHER CHANGES Blut. Vol. 28, Pg. 293, 1974.
mouse LC50 inhalation 9980ppm (9980ppm) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 366, 1943.
mouse LD50 intraperitoneal 340mg/kg (340mg/kg)   Annals of the New York Academy of Sciences. Vol. 243, Pg. 104, 1975.
mouse LD50 oral 4700mg/kg (4700mg/kg)   Hygiene and Sanitation Vol. 32(3), Pg. 349, 1967.
mouse LD50 skin 48mg/kg (48mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 5, 1974.
rabbit LCLo inhalation 45000ppm/30M (45000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
rabbit LD50 skin > 9400uL/kg (9.4mL/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
rabbit LDLo intravenous 88mg/kg (88mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

GASTROINTESTINAL: GASTRITIS

SENSE ORGANS AND SPECIAL SENSES: HEMORRHAGE: EYE
Journal of Toxicology and Environmental Health. Vol. (Suppl,
rat LC50 inhalation 10000ppm/7H (10000ppm)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 113, 1960.
rat LD50 intraperitoneal 1100ug/kg (1.1mg/kg)   Acta Physiologica Polonica. Vol. 12, Pg. 173, 1961.
rat LD50 oral 930mg/kg (930mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 7, Pg. 767, 1965.
 

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