2-Butenoic acid,2-bromo-3-methyl- supplier

Name
3-bromosenecioic acid
EINECS
CAS No. 1578-14-9
Article Data13
CAS DataBase
Density 1.596 g/cm³
Solubility
Melting Point
Formula C₅H₇BrO₂
Boiling Point 257.2 °C at 760 mmHg
Molecular Weight 179.013
Flash Point 109.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Crotonicacid, 2-bromo-3-methyl- (7CI,8CI);2-Bromo-3-methyl-2-butenoic acid;2-Bromo-3-methylcrotonic acid;
PSA 37.30000
LogP 1.75980

2-Butenoic acid,2-bromo-3-methyl- Specification

The 2-Butenoic acid, 2-bromo-3-methyl-, with the CAS registry number 1578-14-9, is also known as 3-Bromosenecioic acid. This chemical's molecular formula is C₅H₇BrO₂ and molecular weight is 179.0119. What's more, its IUPAC name is 2-Bromo-3-methylbut-2-enoic acid.

Physical properties about 2-Butenoic acid, 2-bromo-3-methyl- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 34.25 cm³; (15)Molar Volume: 112 cm³; (16)Polarizability: 13.57×10^-24 cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.596 g/cm³; (19)Flash Point: 109.4 °C; (20)Enthalpy of Vaporization: 54.47 kJ/mol; (21)Boiling Point: 257.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00447 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br/C(=C(/C)C)C(=O)O
(2) InChI: InChI=1/C5H7BrO2/c1-3(2)4(6)5(7)8/h1-2H3,(H,7,8)
(3) InChIKey: PKWKVTRJEOMTSE-UHFFFAOYAN

Product Name

3-bromosenecioic acid

2-Butenoic acid,2-bromo-3-methyl- Specification

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