α-Bromo-α-methyl-γ-butyrolactone - CAS 33693-67-3

Catalog:	BB021821
Product Name:	α-Bromo-α-methyl-γ-butyrolactone
CAS:	33693-67-3
Synonyms:	3-bromo-3-methyloxolan-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-3-methyloxolan-2-one
Description:	α-Bromo-α-methyl-γ-butyrolactone (CAS# 33693-67-3) is a useful research chemical.
Molecular Weight:	179.01
Molecular Formula:	C5H7BrO2
Canonical SMILES:	CC1(CCOC1=O)Br
InChI:	InChI=1S/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3
InChI Key:	MXEVTHILFFSWOG-UHFFFAOYSA-N
Boiling Point:	245.1 °C at 760 mmHg
Density:	1.581 g/cm³
Appearance:	Colorless to yellow liquid
LogP:	1.08690

Publication Number	Title	Priority Date
AU-2012370450-A1	Cyclic diaminopyrimidine derivatives	20120221
AU-2012370450-B2	Cyclic diaminopyrimidine derivatives	20120221
CA-2865040-A1	Cyclic diaminopyrimidine derivatives	20120221
CN-104254531-A	Cyclic diaminopyrimidine derivatives	20120221
CN-104254531-B	Cyclic diaminopyrimidine derivatives	20120221

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
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:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3