3,4-Benzopyrene , 96% , 50-32-8

Synonym(s):
3,4-Benzopyrene;3,4-Benzpyrene;Benzo[def]chrysene

CAS NO.：50-32-8

Empirical Formula: C20H12

Molecular Weight: 252.31

MDL number: MFCD00003602

EINECS: 200-028-5

PRODUCT Properties

• Melting point: 177-180°C
• Boiling point: 495°C
• Density: 1.1549 (estimate)
• vapor pressure: 2.4 at 25 °C (McVeety and Hites, 1988)
• refractive index: 1.8530 (estimate)
• Flash point: 495°C
• storage temp.: 2-8°C
• solubility: Soluble in benzene, toluene, and xylene; sparingly soluble in ethanol and methanol (Windholz et al., 1983)
• form: Crystalline
• pka: >15 (Christensen et al., 1975)
• color: Pale yellow/green/orange
• Water Solubility: Soluble in benzene, toluene, and xylene. Sparingly soluble in alcohol, methanol. Insoluble in water
• Merck: 14,1103
• BRN: 1911333
• Henry's Law Constant: 7.35 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)(x 10^-10 mmHg at 25 °C):
• Exposure limits: OSHA: TWA 0.2 mg/m3
• Stability: Stable. Incompatible with strong oxidizing agents.
• InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
• CAS DataBase Reference: 50-32-8(CAS DataBase Reference)
• IARC: 1 (Vol. Sup 7, 92, 100F) 2012
• EPA Substance Registry System: Benzo[a]pyrene (50-32-8)

Description and Uses

Benzo(a)pyrene (BaP) is bioactivated to its carcinogenic form by phase 1 and phase 2 metabolism. As with other polycyclic aromatic hydrocarbons (PAHs), the presence of the ‘bay region’ contributes greatly to the carcinogenicity of BaP. This region is sterically constrained, allowing the formation of diol epoxides, which subsequently react with intracellular molecules such as DNA. Human exposure to BaP and other PAHs occurs primarily from smoking or from secondhand smoke, air polluted with combustion products, or food and water polluted with combustion products, such as those cooked over charcoal or broiled.
BaP has been extensively studied for its toxicities in children and during pregnancy. A study of pregnant active smokers showed that BaP crossed the human placenta and was bound to fetal hemoglobin at levels significantly higher than in pregnant nonsmokers.

Extensively used in cancer research and for GC (Gas Chromatography) and LC (Liquid Chromatography) Analysis. It is also a multipurpose intermediate.

Safety

• Symbol(GHS): GHS07,GHS08,GHS09
• Signal word: Danger
• Hazard statements: H317-H340-H350-H360FD-H410
• Precautionary statements: P202-P261-P273-P280-P302+P352-P308+P313
• Hazard Codes: T,N,F
• Risk Statements: 45-46-50/53-60-61-43-67-66-36-11-65-38-52/53-36/37/38
• Safety Statements: 45-53-61-60-26-62-16
• RIDADR: 2811
• WGK Germany: 3
• RTECS: DJ3675000
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29029090
• Hazardous Substances Data: 50-32-8(Hazardous Substances Data)
• Toxicity: LD₅₀ for mice (intraperitoneal) 232 mg/kg (Salamone, 1981).