(Z)-2-Bromo-2-butene - CAS 3017-68-3

Catalog:	BB020481
Product Name:	(Z)-2-Bromo-2-butene
CAS:	3017-68-3
Synonyms:	(Z)-2-bromobut-2-ene

Technical Data

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Computed Properties

IUPAC Name:	(Z)-2-bromobut-2-ene
Description:	(Z)-2-Bromo-2-butene (CAS# 3017-68-3 ) is a useful research chemical.
Molecular Weight:	135.00
Molecular Formula:	C4H7Br
Canonical SMILES:	CC=C(C)Br
InChI:	InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3-
InChI Key:	UILZQFGKPHAAOU-ARJAWSKDSA-N
Boiling Point:	84 °C (lit.)
Purity:	95 %
Density:	1.332 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00191841
LogP:	2.30500

Publication Number	Title	Priority Date
US-2020270194-A1	Method of preparing trisubstituted ethylene compounds	20170922
EP-2694465-A1	Ortho-fluoro substituted compounds for the treatment of metabolic diseases	20110408
JP-2014527953-A	O-Fluoro-substituted compounds for the treatment of metabolic diseases	20110408
JP-6054368-B2	O-Fluoro-substituted compounds or salts thereof for the treatment of metabolic diseases	20110408
US-2014058125-A1	Ortho-fluoro substituted compounds for the treatment of metabolic diseases	20110408

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	45.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	133.97311
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.97311
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2