3-Ethynylanisole - CAS 768-70-7

Catalog:	BB035730
Product Name:	3-Ethynylanisole
CAS:	768-70-7
Synonyms:	1-ethynyl-3-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-ethynyl-3-methoxybenzene
Description:	3-Ethynylanisole (CAS# 768-70-7) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	COC1=CC=CC(=C1)C#C
InChI:	InChI=1S/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
InChI Key:	ZASXCTCNZKFDTP-UHFFFAOYSA-N
Boiling Point:	204-210 °C
Density:	1.04 g/cm³
MDL:	MFCD00160810
LogP:	1.67650

Publication Number	Title	Priority Date
CN-113248455-A	3, 5-disubstituted isoxazole derivatives and synthesis method thereof	20210525
CN-113214318-A	(3- (1H-1,2, 3-triazole) phenyl) phosphoric acid derivative and preparation method and application thereof	20210514
CN-113200812-A	Synthesis method of 1,3, 5-trisubstituted aryl compound	20210427
CN-112876507-A	Trisubstituted olefin tertiary phosphine compound and preparation method thereof	20210331
CN-112851566-A	Synthesis method of alpha-oxo-selenoamide derivative	20210128

PMID	Publication Date	Title	Journal
21036045	20101215	N-(8-(3-ethynylphenoxy)octyl-1-deoxynojirimycin suppresses growth and migration of human lung cancer cells	Bioorganic & medicinal chemistry letters
16853231	20050922	Understanding electrochromic processes initiated by dithienylcyclopentene cation-radicals	The journal of physical chemistry. B

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5