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| CAS No.: | 32659-49-7 |
|---|---|
| Name: | S-2--Bromobutyric acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H7BrO2 |
| Molecular Weight: | 167.002 |
| Synonyms: | S-2-Bromobutyric acid;(S)-2-Bromobutanoicacid;(S)-2-Bromobutyric acid; |
| Density: | 1.625 g/cm3 |
| Boiling Point: | 216.6 °C at 760 mmHg |
| Flash Point: | 84.8 °C |
| PSA: | 37.30000 |
| LogP: | 1.24450 |
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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