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| CAS No.: | 2681-94-9 |
|---|---|
| Name: | (R)-2-BROMOBUTANOIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H7BrO2 |
| Molecular Weight: | 167.002 |
| Synonyms: | Butyric acid, 2-bromo-, D- (8CI);(R)-2-Bromobutyricacid;Butanoicacid, 2-bromo-, (R)-;D-2-Bromobutanoic acid;(R)-α-Bromobutyric acid;D-2-Bromobutyric acid; |
| EINECS: | 145-896-5 |
| 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-, (2R)-, with the CAS registry number 2681-94-9, is also known as D-2-Bromobutanoic acid. It belongs to the product categorie of API Intermediates. This chemical's molecular formula is C4H7BrO2 and molecular weight is 167. What's more, its systematic name is (2R)-2-Bromobutanoic acid.
Physical properties about Butanoic acid, 2-bromo-, (2R)- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 29.83 cm3; (9)Molar Volume: 102.7 cm3; (10)Polarizability: 11.82×10-24 cm3; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.625 g/cm3; (13)Flash Point: 84.8 °C; (14)Enthalpy of Vaporization: 49.91 kJ/mol; (15)Boiling Point: 216.6 °C at 760 mmHg; (16)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-/m1/s1
(3) InChIKey: YAQLSKVCTLCIIE-GSVOUGTGBQ