CAS Registry Number®
80-58-0
CAS Name
2-Bromobutyric acid
Molecular Formula
C4H7BrO2
Molecular Mass
167.00
Compound Properties
-
Boiling Point (1)
174-178 °C
-
Melting Point (2)
-4 °C
-
Density (3)
1.5671 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Meng, Ge; Chemical & Pharmaceutical Bulletin, (2003), 51(7), 779-789, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (3) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey
InChIKey=YAQLSKVCTLCIIE-UHFFFAOYSA-N
SMILES
C(C(O)=O)(CC)Br
Canonical SMILES
O=C(O)C(Br)CC
Other Names for this Substance
- Butanoic acid, 2-bromo-
- Butyric acid, 2-bromo-
- 2-Bromobutanoic acid
- α-Bromobutyric acid
- 2-Bromobutyric acid
Deleted or Replaced CAS Registry Numbers
2385-70-8
