9-Ethynylphenanthrene - CAS 32870-98-7

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

Technical Data

Safety and Hazards

Patents

Literatures

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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Related Functional Groups

Alkynes

[5390-04-5]
4-Pentyn-1-ol
[1271-47-2]
Ethynylferrocene
[1189377-77-2]
1,2-bis(4-(pyridin-4-yl)phenyl)ethyne
[2132-62-9]
1,2-Bis(4-methoxyphenyl)ethyne
[2101195-68-8]
Ethyl 1-ethyl-4-ethynyl-1H-pyrazole-3-carboxylate
[926-55-6]
2-Methyl-1-penten-3-yne

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[582-16-1]
2,7-Dimethylnaphthalene
[52692-09-8]
2-nitro-4-iodo anisole
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate

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