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Sigma-Aldrich

3-Bromobutyric acid

≥95.0% (GC)

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About This Item

Linear Formula:
CH3CHBrCH2COOH
CAS Number:
2623-86-1
Molecular Weight:
167.00
Beilstein/REAXYS Number:
1720574
EC Number:
220-082-3
MDL number:
MFCD00053318
UNSPSC Code:
12352100
PubChem Substance ID:
57647573
NACRES:
NA.22

assay

≥95.0% (GC)

refractive index

n20/D 1.476

density

1.57 g/mL at 20 °C (lit.)

SMILES string

CC(Br)CC(O)=O

InChI

1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)

InChI key

HAIUIAZIUDPZIE-UHFFFAOYSA-N

Application

3-Bromobutyric acid was used in the synthesis of β-butyrolactone, monomer for a naturally occurring polyester, D-poly-β-hydroxybutyrate. It was used to investigate the effect of halo acids on the activity of aspartate aminotransferase isoenzymes in their pyridoxamine form. It was also used in the synthesis of optically active β-lactones.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

237.2 °F - closed cup

flash_point_c

114 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Synthesis and characterization of poly-?-hydroxybutyrate. I. Synthesis of crystalline DL-poly-?-hydroxybutyrate from DL-?-butyrolactone.
Agostini DE, et al.
Journal of Polymer Science: Part A, General Papers, 9(10), 2775-2787 (1971)
Methods for the synthesis of optically active β-lactones (2-oxetanones).
Yang YW and Romo D.
Tetrahedron, 55(21), 6403-6434 (1999)
Selective inactivation of pyridoxamine form of aspartate aminotransferase by iodoacetate. Carboxymethylation of 4'-amino group of bound pyridoxamine 5'-phosphate.
Y Morino et al.
The Journal of biological chemistry, 253(17), 6026-6030 (1978-09-10)

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