Benzeneacetic acid,3-chloro-a-hydroxy-, (aS)- supplier

Name
(S)-3-CHLOROMANDELIC ACID
EINECS
CAS No. 32222-43-8
Article Data46
CAS DataBase
Density 1.468 g/cm³
Solubility
Melting Point None °C
Formula C₈H₇ClO₃
Boiling Point 350.3 °C at 760 mmHg
Molecular Weight 186.595
Flash Point 165.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneaceticacid, 3-chloro-a-hydroxy-,(S)-;Mandelic acid, m-chloro-, (S)-(+)- (8CI);(+)-3-Chloromandelic acid;(2S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid;(S)-(+)-3-Chloromandelic acid;(S)-(3-Chlorophenyl)(hydroxy)ethanoic acid;(S)-3-Chloromandelic acid;(S)-m-Chloromandelic acid;
PSA 57.53000
LogP 1.45800

Benzeneacetic acid,3-chloro-a-hydroxy-, (aS)- Specification

The Benzeneacetic acid, 3-chloro-a-hydroxy-, (aS)-, with the CAS registry number 32222-43-8, is also known as (S)-2-Chloromandelic acid. This chemical's molecular formula is C₈H₇ClO₃ and molecular weight is 186.59. What's more, its systematic name is (2S)-(2-Chlorophenyl)(hydroxy)ethanoic acid.

Physical properties about Benzeneacetic acid, 3-chloro-a-hydroxy-, (aS)- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 43.79 cm³; (13)Molar Volume: 127 cm³; (14)Polarizability: 17.36×10^-24 cm³; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.468 g/cm³; (17)Flash Point: 165.7 °C; (18)Enthalpy of Vaporization: 62.78 kJ/mol; (19)Boiling Point: 350.3 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1[C@H](O)C(=O)O
(2) InChI: InChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
(3) InChIKey: RWOLDZZTBNYTMS-ZETCQYMHBQ

Product Name

(S)-3-CHLOROMANDELIC ACID

Benzeneacetic acid,3-chloro-a-hydroxy-, (aS)- Specification

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