Compound: Benzo[e]pyrene
SMILES: c12c3c4c5ccccc5c1cccc2ccc3ccc4
InChIKey: TXVHTIQJNYSSKO-UHFFFAOYSA-N
Synonyms: Benzo[e]pyrene, 192-97-2, BENZO(E)PYRENE, 1,2-Benzpyrene, 4,5-Benzpyrene, 4,5-Benzopyrene, Benzo(l)pyrene, 9,10-Benzpyrene, 1,2-Benzopyrene, Benz(e)pyrene, Benz[e]pyrene, DTXSID3023764, NSC 89273, CHEBI:34567, 63APT6398R, NSC-89273, DTXCID103764, Benzo[l]pyrene, 1,2-benzo(e)pyrene, RefChem:916916, 205-892-7, pentacyclo(10.6.2.02,7.08,20.015,19)icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene, B(e)P, MFCD00003605, BENZO (e) PYRENE (purity), 1,2-Benzpyrene (VAN), 1,2-Benzopyrene (VAN), 73467-76-2, CAS-192-97-2, CCRIS 786, HSDB 4031, EINECS 205-892-7, BENZO (E) PYRENE, benzpyren, BRN 1911334, UNII-63APT6398R, Benzo[e]pyrene; 1,2-Benzopyrene; 1,2-Benzpyrene; 4,5-Benzopyrene; 4,5-Benzpyrene; NSC 89273, Benzo[e]pyrene, 98%, Benzo[e]pyrene 10 microg/mL in Cyclohexane, Benzo[e]pyrene 10 microg/mL in Acetonitrile, Benzo[e]pyrene 100 microg/mL in Acetonitrile, Benzo[e]pyrene 100 microg/mL in Cyclohexane, Epitope ID:119717, SCHEMBL24020, BENZO(E)PYRENE [MI], MLS002415714, BENZO(E)PYRENE [HSDB], BENZO(E)PYRENE [IARC], MSK4305E, orb1941873, SCHEMBL1899900, SCHEMBL1899901, CHEMBL1371125, SCHEMBL17063478, SCHEMBL17063479, SCHEMBL18221920, SCHEMBL29357057, SCHEMBL29432647, HMS3039P15, AAA19297, Benzo[e]pyrene, analytical standard, NSC89273, Tox21_201724, Tox21_303185, HY-N10021, AKOS015902954, WLN: L D6666 B6 2AB TJ, NCGC00091854-01, NCGC00091854-02, NCGC00091854-03, NCGC00256975-01, NCGC00259273-01, Benzo[e]pyrene 10 Axg/mL in Cyclohexane, DA-71384, SMR001370896, SY115691, Benzo[e]pyrene 10 Axg/mL in Acetonitrile, Benzo[e]pyrene 100 Axg/mL in Acetonitrile, Benzo[e]pyrene 100 Axg/mL in Cyclohexane, CS-0253694, NS00002471, G85784, Benzo[e]pyrene, BCR(R) certified Reference Material, Q2645019, 1,2-Benzopyrene, 1,2-Benzpyrene, 4,5-Benzpyrene, 4,5-Benzopyrene, NSC 89273,Benzo[e]pyrene, 1,2-Benzopyrene, 4,5-Benzopyrene, 1,2-Benzpyrene, NSC 89273,Benzo[e]pyrene, 4,5-Benzpyrene, 1,2-Benzopyrene, 4,5-Benzopyrene,Benzo[e]pyrene, NSC 89273, 1,2-Benzpyrene, 4,5-Benzpyrene, 4,5-Benzopyrene, 4,5-Benzpyrene, NSC 89273, 1,2-Benzopyrene,Benzo[e]pyrene, 1,2-Benzpyrene, 4,5-Benzopyrene, NSC 89273, 4,5-Benzpyrene, 1,2-Benzpyrene,Benzo[e]pyrene, 1,2-Benzopyrene, Benzo[e]pyrene, 4,5-Benzpyrene, 1,2-Benzpyrene, 4,5-Benzopyrene, NSC 89273, 1,2-Benzopyrene
Theoretical properties:
molecular_formula: C20H12
molecular_weight: 252.3 g/mol
exact_mass: 252.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 20
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Prisms or plates from benzene
color: Prisms or plates from benzene
boiling_point: 918 °F at 760 mmHg (NTP, 1992)
melting_point: 352 to 354 °F (NTP, 1992)
solubility: less than 1 mg/mL at 73 °F (NTP, 1992)
vapor_pressure: 0.00000001 [mmHg]
Descriptions:
pubchem: Benzo[e]pyrene is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC. It has a role as a mutagen and a carcinogenic agent.
chebi: An <em>ortho</em>- and <em>peri</em>-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
chembl: BENZO[E]PYRENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benzo[a]pyrene (BaP or B[a]P) is a polycyclic aromatic hydrocarbon and the result of incomplete combustion of organic matter at temperatures between 300 °C (572 °F) and 600 °C (1,112 °F). The ubiquitous compound can be found in coal tar, tobacco smoke and many foods, especially grilled meats. The substance with the formula C20H12 is one of the benzopyrenes, formed by a benzene ring fused to pyrene. Its diol epoxide metabolites, more commonly known as BPDE, react with and bind to DNA, resulting in mutations and eventually cancer. It is listed as a Group 1 carcinogen by the IARC. In the 18th century a scrotal cancer of chimney sweepers, the chimney sweeps' carcinoma, was already known to be connected to soot.