2-Ethylanthracene - CAS 52251-71-5

Catalog:	BB027757
Product Name:	2-Ethylanthracene
CAS:	52251-71-5
Synonyms:	2-ethylanthracene

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Computed Properties

IUPAC Name:	2-ethylanthracene
Description:	2-Ethylanthracene (CAS# 52251-71-5 ) is a useful research chemical.
Molecular Weight:	206.28
Molecular Formula:	C16H14
Canonical SMILES:	CCC1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI:	InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3
InChI Key:	ZXAGXLDEMUNQSH-UHFFFAOYSA-N
Boiling Point:	364.3 °C at 760 mmHg
Density:	1.082 g/cm³
Appearance:	Yellow to brown powder
LogP:	4.55540
Vapor Pressure:	0.0000212 [mmHg]

Publication Number	Title	Priority Date
CN-113460968-A	Process system and process method for preparing hydrogen peroxide by anthraquinone method	20210726
CN-113457723-A	Ruthenium-zirconium composite alkylation catalyst and preparation method thereof	20210527
CN-112973778-A	Iron-zirconium bimetal supported catalyst and preparation method and application thereof	20210205
CN-112973790-A	Zirconium-based alkylation catalyst and preparation method and application thereof	20210205
JP-2021128259-A	Photosensitive composition	20200214

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P273, P280, P305+P351+P338, P310, P391, and P501
Signal Word:	Danger

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.109550447
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.109550447
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5