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Benzo[a]pyrene

Benzo[a]pyrene structure

CAS No:
50-32-8
Formula:
C20H12
Chemical Name:
Benzo[a]pyrene
Synonyms:
Benzo[a]pyrene;3,4-Benzpyrene;3,4-Benzopyrene;Benzopyrene;Benz[a]pyrene;3,4-Benz[a]pyrene;6,7-Benzopyrene;4,5-Benzpyrene;Benzo[d,e,f]chrysene;3,4-Benzpyrene (carcinogen);BaP;NSC 21914;819804-28-9
Categories:
Chemical Reagents > Organic Reagents

Description

Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies.

Benzo[a]pyrene is a polycyclic aromatic hydrocarbon found in coal tar with the formula C20H12. Its metabolites are mutagenic and highly carcinogenic, and it is listed as a Group 1 carcinogen by the IARC. The compound is one of the benzopyrenes, formed by a benzene ring fused to pyrene, and is the result of incomplete combustion at temperatures between 300°C (572°F) and 600°C (1,112°F).

Benzo[a]pyrene Basic Attributes

Molecular Weight：

252.31

Exact Mass：

252.31

EC Number：

200-028-5

HScode：

2902909090

Characteristics

PSA：

XLogP3：

6.04

Appearance：

Pale yellow/green/orange Crystalline

Density：

1.351 g/cm³

Melting Point：

179-179.3 °C

Boiling Point：

310-312 °C @ Press: 10 Torr

Flash Point：

495°C

Refractive Index：

1.887

Water Solubility：

soluble in benzene, toluene, and xylene. Sparingly soluble in alcohol, methanol. Insoluble in water;Solubility in water, g/100ml at 20°C:

Storage Conditions：

APPROX 4°C

Vapor Pressure：

Vapour pressure at 20°C: negligible

Vapor Density：

8.7

Toxicity：

Subcutaneous-rat LD50: 50 mg/kg; peritoneal-mouse LDL0: 500 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Odor：

Faint aromatic odor

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

45-46-50/53-60-61-43-67-66-36-11-65-38-52/53-36/37/38

safety instructions：

45-53-61-60-26-62-16

RTECS Number：

DJ3675000

Marks：

T,N,F

Storage features：

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P201-P273-P280-P308 + P313-P333 + P313-P501

Hazard Statements：

H317-H340-H350-H360FD-H410

RIDADR：

UN 1145

Toxicity

Toxicity class：

highly toxic

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Rodent - mouse	14 ug	--	Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 4,333,1978
SKIN/EYE IRRITATION DATA	LD50 - Lethal dose, 50 percent kill	Subcutaneous	Rodent - rat	50 mg/kg	Details of toxic effects not reported other than lethal dose value--	Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967
SKIN/EYE IRRITATION DATA	LDLo - Lowest published lethal dose	Intraperitoneal	Rodent - mouse	500 mg/kg	Details of toxic effects not reported other than lethal dose value--	Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 23,288,1972

Benzo[a]pyrene Use and Manufacturing

Benzopyrene is a polyaromatic hydrocarbon (PAH) found in coal tar. Benzopyrene is a known carcinogen. The metbolism of Benzopyrene results in diol epoxides that react and bind to DNA forming adducts which in turns leads to mutations and eventually cancer.

Computed Properties

Molecular Weight:252.3
XLogP3:6
Exact Mass:252.093900383
Monoisotopic Mass:252.093900383
Heavy Atom Count:20
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1393794-15-4

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Benzo[a]pyrene

CAS No.: 50-32-8

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