1-Chloro-2-ethynylbenzene - CAS 873-31-4

Name: 1-Chloro-2-ethynylbenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038381
Product Name:	1-Chloro-2-ethynylbenzene
CAS:	873-31-4
Synonyms:	1-chloro-2-ethynylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-2-ethynylbenzene
Description:	1-Chloro-2-ethynylbenzene (CAS# 873-31-4) is a compound useful in organic synthesis.
Molecular Weight:	136.58
Molecular Formula:	C8H5Cl
Canonical SMILES:	C#CC1=CC=CC=C1Cl
InChI:	InChI=1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChI Key:	DGLHLIWXYSGYBI-UHFFFAOYSA-N
Boiling Point:	82 °C (12 mmHg)
Purity:	98 %
Density:	1.125 g/cm³
Appearance:	Colourless liquid
Storage:	Keep Cold
MDL:	MFCD00269951
LogP:	2.32130

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Related Functional Groups

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[111-85-3]C8H17Cl
1-Chlorooctane

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
18208458	20080501	Synthesis and excited-state photodynamics of a chlorin-bacteriochlorin dyad--through-space versus through-bond energy transfer in tetrapyrrole arrays	Photochemistry and photobiology
16711674	20060529	Photoinduced electron-transfer reactions of platinum(II) terpyridyl acetylide complexes: reductive quenching in a hydrogen-generating system	Inorganic chemistry

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:	2.8