S-2--Bromobutyric acid supplier

Name
S-2--Bromobutyric acid
EINECS
CAS No. 32659-49-7
Article Data8
CAS DataBase
Density 1.625 g/cm³
Solubility
Melting Point
Formula C₄H₇BrO₂
Boiling Point 216.6 °C at 760 mmHg
Molecular Weight 167.002
Flash Point 84.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms S-2-Bromobutyric acid;(S)-2-Bromobutanoicacid;(S)-2-Bromobutyric acid;
PSA 37.30000
LogP 1.24450

S-2--Bromobutyric acid Specification

The Butanoic acid, 2-bromo-, (2S)-, with the CAS registry number 32659-49-7, is also known as S-2-Bromobutyric acid. It belongs to the product category of Chiral. This chemical's molecular formula is C₄H₇BrO₂ and molecular weight is 167.0012. What's more, its systematic name is (2S)-2-Bromobutanoic acid.

Physical properties about Butanoic acid, 2-bromo-, (2S)- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -2.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 29.83 cm³; (15)Molar Volume: 102.7 cm³; (16)Polarizability: 11.82×10^-24 cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.625 g/cm³; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 49.91 kJ/mol; (21)Boiling Point: 216.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0533 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br[C@H](C(=O)O)CC
(2) InChI: InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
(3) InChIKey: YAQLSKVCTLCIIE-VKHMYHEABV

Product Name

S-2--Bromobutyric acid

S-2--Bromobutyric acid Specification

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