Dibenz[a,c]anthracene - CAS 215-58-7

Catalog:	BB016960
Product Name:	Dibenz[a,c]anthracene
CAS:	215-58-7
Synonyms:	benzo[b]triphenylene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	benzo[b]triphenylene
Description:	Dibenz[a,c]anthracene (CAS# 215-58-7) is a polycyclic aromatic hydrocarbon which are known carcinogens and environmental pollutants.
Molecular Weight:	278.35
Molecular Formula:	C22H14
Canonical SMILES:	C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1
InChI:	InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
InChI Key:	RAASUWZPTOJQAY-UHFFFAOYSA-N
Boiling Point:	518 °C (lit.)
Density:	1.232 g/cm³
Appearance:	Slightly yellow solid
MDL:	MFCD00003603
LogP:	6.29940

Publication Number	Title	Priority Date
US-2021323829-A1	Production of graphitic films from a mixture of graphene oxide and highly aromatic molecules	20200421
CN-113328042-A	Organic electroluminescent element and preparation method thereof	20200228
CN-111187201-A	Compound and organic electroluminescent device	20200122
WO-2021142408-A1	Estrogen metabolite levels and cancer driver gene mutations in lung cancer risk stratification and treatment	20200111
CN-113121365-A	Novel compound and organic light-emitting element comprising same	20191230

PMID	Publication Date	Title	Journal
29471110	20180801	Antagonistic and synergistic interactions during the binding of binary mixtures of polycyclic aromatic hydrocarbons to the aryl hydrocarbon receptor	Toxicology in vitro : an international journal published in association with BIBRA
29094189	20180201	Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons	Archives of toxicology
28104439	20170401	Up-regulation of CYP1A1 and phase II enzymes by 5-ring isomeric polycyclic aromatic hydrocarbons in precision-cut rat hepatic slices: Importance of molecular shape	Toxicology in vitro : an international journal published in association with BIBRA
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
22883158	20120921	Evaluation of comprehensive two-dimensional gas chromatography-time-of-flight-mass spectrometry for the analysis of polycyclic aromatic hydrocarbons in sediments	Journal of chromatography. A

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Related Functional Groups

Arenes

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2,7-Dimethylnaphthalene
[1198396-39-2]
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GHS Hazard Statement:	H301 (77.36%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (77.36%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (71.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H341 (22.64%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H400 (71.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P203, P261, P264, P270, P271, P273, P280, P281, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	361
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.109550447
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.109550447
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.7