Chrysene - CAS 218-01-9

Name: Chrysene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB055601
Product Name:	Chrysene
CAS:	218-01-9
Synonyms:	1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benzo[a]phenanthrene; NSC 6175; [4]Phenacene

Technical Data

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QC Data

IUPAC Name:	chrysene
Description:	Occurs in coal tar. Is formed during distillation of coal, in very small amount during distillation or pyrolysis of many fats and oils. Chrysene is one of the basic polycyclic aromatic hydrocarbon (PAH) which is toxic environmental pollutant and consistently exposed to sunlight. However, little information is available on its photogenotoxicity. The objective of the present study was to analyze the effects of Chrysene, under environmental intensity of UVB (0.6 mW/cm2) in human skin epidermal cell line (HaCaT).
Molecular Weight:	228.29
Molecular Formula:	C18H12
Canonical SMILES:	C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
InChI:	InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChI Key:	WDECIBYCCFPHNR-UHFFFAOYSA-N
Boiling Point:	838 °F at 760 mmHg
Melting Point:	250-255°C
Density:	1.274 at 68 °F
Solubility:	Chloroform (Slightly), Ethyl Acetate (Very Slightly)
Appearance:	White to Grey Solid
Storage:	20°C
References:	Anderson, D., et al. Mutat. Res., 307, 261 (1994), Diamond, S., et al. Environ. Toxicol. Chem., 25, 3015 (2006), Fotakis, G., et al. Toxicol. Lett., 160, 171 (2006),.
Stability:	Stable under recommended storage conditions

GHS Hazard Statement:	H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement:	P203, P273, P280, P281, P318, P391, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-114094032-A	Organic electroluminescent device and electronic apparatus	20220119
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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PMID	Publication Date	Title	Journal
31087746	20190901	Aryl hydrocarbon receptor signaling, toxicity, and gene expression responses to mono-methylchrysenes	Environmental toxicology
29630969	20180901	Systematic developmental neurotoxicity assessment of a representative PAH Superfund mixture using zebrafish	Toxicology and applied pharmacology
29094189	20180201	Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons	Archives of toxicology
27858113	20170701	A framework for the use of single-chemical transcriptomics data in predicting the hazards associated with complex mixtures of polycyclic aromatic hydrocarbons	Archives of toxicology
27283969	20170301	Detection of exposure effects of mixtures of heavy polycyclic aromatic hydrocarbons in zebrafish embryos	Journal of applied toxicology : JAT
26377693	20161001	Comparative transcriptomic analyses to scrutinize the assumption that genotoxic PAHs exert effects via a common mode of action	Archives of toxicology
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
26621329	20160101	Aryl hydrocarbon receptor-dependent up-regulation of the heterodimeric amino acid transporter LAT1 (SLC7A5)/CD98hc (SLC3A2) by diesel exhaust particle extract in human bronchial epithelial cells	Toxicology and applied pharmacology
25500124	20150401	The aryl hydrocarbon receptor-mediated and genotoxic effects of fractionated extract of standard reference diesel exhaust particle material in pulmonary, liver and prostate cells	Toxicology in vitro : an international journal published in association with BIBRA
25433334	20150301	Differential immunomodulatory responses to nine polycyclic aromatic hydrocarbons applied by passive dosing	Toxicology in vitro : an international journal published in association with BIBRA

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.093900383
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.093900383
Rotatable Bond Count:	0
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7

Chrysene - CAS 218-01-9

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

QC Data

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