Benzo[e]pyrene - CAS 192-97-2

Name: Benzo[e]pyrene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB055058
Product Name:	Benzo[e]pyrene
CAS:	192-97-2
Synonyms:	Benzo[e]pyrene; 1,2-Benzpyrene; 4,5-Benzopyrene; 4,5-Benzpyrene; Benzo(l)pyrene; 9,10-Benzpyrene; 1,2-Benzopyrene

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Computed Properties

IUPAC Name:	benzo[e]pyrene
Molecular Weight:	252.31
Molecular Formula:	C20H12C20H12
Canonical SMILES:	C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
InChI:	InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChI Key:	TXVHTIQJNYSSKO-UHFFFAOYSA-N
Boiling Point:	918 °F at 760 mmHg
Melting Point:	352 to 354 °F
Solubility:	Soluble in acetone
Appearance:	Prisms or plates from benzene;pale yellow needles (from benzene or methanol);colorless crystals or white crystalline solid
Stability:	Stable under recommended storage conditions

GHS Hazard Statement:	H350: May cause cancer [Danger Carcinogenicity]
Precautionary Statement:	P203, P273, P280, P318, P391, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113960220-A	Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood	20211215
CN-113960220-B	Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood	20211215
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CN-215374768-U	Auxiliary device for detecting benzopyrene in smoke	20210716
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PMID	Publication Date	Title	Journal
30157460	20181101	Effect of aflatoxin B1, benzo[a]pyrene, and methapyrilene on transcriptomic and epigenetic alterations in human liver HepaRG cells	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
27196671	20160901	Inhibition of the formation of benzo[a]pyrene adducts to DNA in A549 lung cells exposed to mixtures of polycyclic aromatic hydrocarbons	Toxicology in vitro : an international journal published in association with BIBRA
25424538	20150701	Successful validation of genomic biomarkers for human immunotoxicity in Jurkat T cells in vitro	Journal of applied toxicology : JAT
22963542	20121002	Pressurized liquid extraction of diesel and air particulate standard reference materials: effect of extraction temperature and pressure	Analytical chemistry
21452393	20120901	Aryl hydrocarbon receptor-independent up-regulation of intracellular calcium concentration by environmental polycyclic aromatic hydrocarbons in human endothelial HMEC-1 cells	Environmental toxicology
22699773	20120801	Changes in thyroid peroxidase activity in response to various chemicals	Journal of environmental monitoring : JEM
22569379	20120501	Effects of hydroquinone on retinal and vascular cells in vitro	Indian journal of ophthalmology
22213518	20120401	Influence of earthworm activity on microbial communities related with the degradation of persistent pollutants	Environmental toxicology and chemistry
22278406	20120401	Polycyclic aromatic hydrocarbons (PAHs) in vegetables and fruits produced in Saudi Arabia	Bulletin of environmental contamination and toxicology
22339419	20120401	Validation of the Candida albicans delayed-type hypersensitivity (DTH) model in the female B₆C₃F₁ mouse for use in immunotoxicological investigations	Journal of immunotoxicology

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.093900383
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.093900383
Rotatable Bond Count:	0
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.4

Benzo[e]pyrene - CAS 192-97-2

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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