9-Ethynylphenanthrene - CAS 32870-98-7

Catalog:	BB021450
Product Name:	9-Ethynylphenanthrene
CAS:	32870-98-7
Synonyms:	9-ethynylphenanthrene

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Computed Properties

IUPAC Name:	9-ethynylphenanthrene
Description:	9-Ethynylphenanthrene (CAS# 32870-98-7 ) is a useful research chemical.
Molecular Weight:	202.25
Molecular Formula:	C16H10
Canonical SMILES:	C#CC1=CC2=CC=CC=C2C3=CC=CC=C31
InChI:	InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
InChI Key:	FMKVRRYQWWPOAL-UHFFFAOYSA-N
Boiling Point:	377.7 °C at 760 mmHg
Melting Point:	63-67 °C(lit.)
Purity:	95 %
Density:	1.15 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD05664210
LogP:	3.97430

Publication Number	Title	Priority Date
CN-112108175-A	Preparation method of aromatic olefin	20200817
CN-111606774-A	Method for efficiently preparing styrene and deuterated styrene compounds	20200701
CN-112358459-A	Preparation method of benzofuran compound	20191017
CN-110684050-A	Preparation method and application of 7-position vinyl substituted osmium heteropentadiyne	20190828
CN-110684050-B	Preparation method and application of 7-position vinyl substituted osmium heteropentadiyne	20190828

PMID	Publication Date	Title	Journal
20088676	20100401	Testosterone hydroxylation in bovine liver: enzyme kinetic and inhibition study	Xenobiotica; the fate of foreign compounds in biological systems
19563207	20090701	Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study	Chemical research in toxicology
16248836	20051001	Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity	Current drug metabolism

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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, and P501
Signal Word:	Danger

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.078250319
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.078250319
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7