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2-Bromo-2-butene, mixture of cis and trans

2-Bromo-2-butene, mixture of cis and trans - CAS 13294-71-8

Catalog:	BB007661
Product Name:	2-Bromo-2-butene, mixture of cis and trans
CAS:	13294-71-8
Synonyms:	(E)-2-bromobut-2-ene

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Computed Properties

IUPAC Name:	(E)-2-bromobut-2-ene
Description:	2-Bromo-2-butene, mixture of cis and trans (CAS# 13294-71-8 ) 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-ONEGZZNKSA-N
Boiling Point:	82-90 °C (740 torr)
Purity:	95 %
Density:	1.32 g/cm³
Appearance:	Clear yellow to brownish liquid
Storage:	2-8 °C
MDL:	MFCD00000141
LogP:	2.30500

Publication Number	Title	Priority Date
CN-112552206-A	Azophenyl derivative, solar thermal energy fuel film composite material, and preparation method and application thereof	20201216
CN-111517925-A	Preparation method of pentaerythritol allyl ether	20200429
WO-2021191379-A1	5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer	20200326
CN-111072823-A	Polymerized microsphere with disaccharide base skeleton and preparation method thereof	20191209
CN-111072823-B	Polymerized microsphere with disaccharide base skeleton and preparation method thereof	20191209

PMID	Publication Date	Title	Journal
22463689	20120411	Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides	Journal of the American Chemical Society
15100475	20040101	Ion/molecule reactions of isomeric bromobutene radical cations with ammonia	European journal of mass spectrometry (Chichester, England)

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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