Butanedioic acid,2-bromo-, (2S)- supplier

Name
(S)-2-BROMOSUCCINIC ACID
EINECS
CAS No. 20859-23-8
Article Data38
CAS DataBase
Density 2.022 g/cm³
Solubility
Melting Point 176-179 °C
Formula C₄H₅BrO₄
Boiling Point 255.1 °C at 760 mmHg
Molecular Weight 196.985
Flash Point 108.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/38
Molecular Structure
Hazard Symbols Xn
Synonyms Succinic acid,bromo-, L- (8CI);(-)-Bromosuccinic acid;(S)-2-Bromobutanedioic acid;(S)-2-Bromosuccinic acid;L-a-Bromosuccinic acid;S-(-)-Bromosuccinic acid;Butanedioic acid, bromo-, (S)-;Butanedioicacid, bromo-, (2S)- (9CI);
PSA 74.60000
LogP 0.30920

Butanedioic acid,2-bromo-, (2S)- Specification

The Butanedioic acid,2-bromo-, (2S)-, with the CAS registry number 20859-23-8, is also known as S)-(-)-Bromosuccinic acid and (S)-2-Bromosuccinic acid. This chemical's molecular formula is C₄H₅BrO₄ and molecular weight is 196.9841. What's more, its systematic name is called (2S)-2-Bromobutanedioic acid.

Physical properties about Butanedioic acid,2-bromo-, (2S)- are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -4.14; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 31.39 cm³; (15)Molar Volume: 97.3 cm³; (16)Polarizability: 12.44×10^-24 cm³; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 2.022 g/cm³; (19)Flash Point: 108.1 °C; (20)Enthalpy of Vaporization: 54.23 kJ/mol; (21)Boiling Point: 255.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00512 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br[C@H](C(=O)O)CC(=O)O
(2) InChI: InChI=1/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
(3) InChIKey: QQWGVQWAEANRTK-REOHCLBHBZ

Product Name

(S)-2-BROMOSUCCINIC ACID

Butanedioic acid,2-bromo-, (2S)- Specification

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