3-Chloro-1-ethynylbenzene - CAS 766-83-6

Catalog:	BB035670
Product Name:	3-Chloro-1-ethynylbenzene
CAS:	766-83-6
Synonyms:	1-chloro-3-ethynylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-3-ethynylbenzene
Description:	3-Chloro-1-ethynylbenzene (CAS# 766-83-6) is a useful research chemical.
Molecular Weight:	136.58
Molecular Formula:	C8H5Cl
Canonical SMILES:	C#CC1=CC(=CC=C1)Cl
InChI:	InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key:	GRBJPHPMYOUMJV-UHFFFAOYSA-N
Boiling Point:	178-179 °C
Purity:	98 %
Density:	1.109 g/cm³
Appearance:	Colorless liquid
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD03839984
LogP:	2.32130

Publication Number	Title	Priority Date
CN-113429325-A	Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof	20210706
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-113248455-A	3, 5-disubstituted isoxazole derivatives and synthesis method thereof	20210525
CN-113117724-A	Recoverable supported Au52Cu72(SR)55 cluster catalyst and application thereof	20210426
CN-113149827-A	Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide	20210419

PMID	Publication Date	Title	Journal
19325756	20080301	Synthesis and characterization of polyacetylene with side-chain thiophene functionality	International journal of molecular sciences

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.0079779
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.0079779
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2