ChemicalBook--->CAS DataBase List--->42990-24-9

42990-24-9

42990-24-9 Structure

42990-24-9 Structure
IdentificationBack Directory
[Name]

dl-a-bromoisocaproicacid
[CAS]

42990-24-9
[Synonyms]

Pentanoic acid, 2-bromo-4-methyl-
(4-Bromo-3-fluoro-phenyl)-acetic acid ethyl ester
[Molecular Formula]

C6H11BrO2
[MDL Number]

MFCD00039606
[MOL File]

42990-24-9.mol
[Molecular Weight]

195.05
Chemical PropertiesBack Directory
[Boiling point ]

241℃
[density ]

1.432
[Fp ]

99℃
[storage temp. ]

Sealed in dry,2-8°C
[pka]

2.98±0.21(Predicted)
[InChI]

InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
[InChIKey]

NNFDHJQLIFECSR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(Br)CC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315+H320-H317-H335-H336-H401
[Precautionary statements ]

P501-P261-P273-P272-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P304+P340+P312-P403+P233-P405
[HS Code ]

2915907098
Hazard InformationBack Directory
[Uses]

2-Bromo-4-methylpentanoic Acid is a useful reactant in organic synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

dl-a-bromoisocaproicacid(42990-24-9)1HNMR
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