Methyl 2-bromo-2-butenoate - CAS 17642-18-1

Name: Methyl 2-bromo-2-butenoate
Brand: BOC Sciences
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Catalog:	BB013221
Product Name:	Methyl 2-bromo-2-butenoate
CAS:	17642-18-1
Synonyms:	methyl (Z)-2-bromobut-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (Z)-2-bromobut-2-enoate
Description:	Methyl 2-bromo-2-butenoate (CAS# 17642-18-1 ) is a useful research chemical.
Molecular Weight:	179.01
Molecular Formula:	C5H7BrO2
Canonical SMILES:	CC=C(C(=O)OC)Br
InChI:	InChI=1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-
InChI Key:	DMKWWKUPZZAUQL-ARJAWSKDSA-N
Boiling Point:	165.8 °C at 760 mmHg
Purity:	95 %
Density:	1.505 g/mL at 20 °C(lit.)
Appearance:	Clear yellow liquid
Storage:	2-8 °C
MDL:	MFCD00042891
LogP:	1.45810

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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

Publication Number	Title	Priority Date
WO-2021160649-A1	Process for the synthesis of s-beflubutamid using asymmetric hydrogenation	20200211
EP-2892897-A1	Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists	20120905
US-2015218092-A1	Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists	20120905
US-9499482-B2	Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists	20120905
WO-2014039412-A1	Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists	20120905

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	177.96294
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.96294
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8