42990-24-9

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42990-24-9 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Information	Back Directory
[Uses] 2-Bromo-4-methylpentanoic Acid is a useful reactant in organic synthesis.

Spectrum Detail	Back Directory
[Spectrum Detail] dl-a-bromoisocaproicacid(42990-24-9)¹HNMR

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