(R)-(-)-3-Chloromandelic acid supplier

Name
(R)-(-)-3-CHLOROMANDELIC ACID
EINECS
CAS No. 61008-98-8
Article Data46
CAS DataBase
Density 1.468 g/cm³
Solubility
Melting Point 100-104 °C(lit.)
Formula C₈H₇ClO₃
Boiling Point 348.2 °C at 760 mmHg
Molecular Weight 186.595
Flash Point 164.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneaceticacid, 3-chloro-a-hydroxy-,(R)-;(R)-(3-Chlorophenyl)hydroxyacetic acid;(R)-2-(3-Chlorophenyl)-2-hydroxyethanoic acid;(R)-3-Chloromandelic acid;(R)-m-Chloromandelic acid;
PSA 57.53000
LogP 1.45800

(R)-(-)-3-Chloromandelic acid Specification

The CAS registry number of Benzeneacetic acid,3-chloro-a-hydroxy-, (aR)- is 61008-98-8. The systematic name is (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid. In addition, the molecular formula is C₈H₇ClO₃ and the molecular weight is 186.59. It is also called (R)-(-)-chloromandelic acid. What's more, it belongs to the classes of Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. And it should be stored in sealed container, and put in a cool and dry place.

Physical properties of Benzeneacetic acid,3-chloro-a-hydroxy-, (aR)- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -2.18; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 43.79 cm³; (15)Molar Volume: 127 cm³; (16)Polarizability: 17.36×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.468 g/cm³; (19)Flash Point: 164.4 °C; (20)Enthalpy of Vaporization: 62.53 kJ/mol; (21)Boiling Point: 348.2 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)[C@@H](O)C(=O)O
(2)InChI: InChI=1/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
(3)InChIKey: SAMVPMGKGGLIPF-SSDOTTSWBS

Product Name

(R)-(-)-3-CHLOROMANDELIC ACID

(R)-(-)-3-Chloromandelic acid Specification

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