16511
3-Bromobutyric acid
≥95.0% (GC)
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About This Item
Linear Formula:
CH3CHBrCH2COOH
CAS Number:
Molecular Weight:
167.00
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
220-082-3
Beilstein/REAXYS Number:
1720574
MDL number:
InChI key
HAIUIAZIUDPZIE-UHFFFAOYSA-N
InChI
1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
SMILES string
CC(Br)CC(O)=O
assay
≥95.0% (GC)
refractive index
n20/D 1.476
density
1.57 g/mL at 20 °C (lit.)
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
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
Regulatory Information
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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)
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)
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