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| CAS No.: | 52950-18-2 |
|---|---|
| Name: | (R)-(-)-2-Chloromandelic acid |
| Molecular Structure: | |
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|
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| Formula: | C8H7ClO3 |
| Molecular Weight: | 186.595 |
| Synonyms: | Benzeneacetic acid, 2-chloro-a-hydroxy-, (R)-;(R)-(-)-2-Hydroxy-2-(2-chlorophenyl)aceticacid;(R)-(2-Chlorophenyl)(hydroxy)acetic acid;(R)-2-(2-Chlorophenyl)-2-hydroxyethanoic acid;(R)-2-Chloromandelic acid;(R)-2-Hydroxy-2-(2-chlorophenyl)acetic acid;(R)-o-Chloromandelicacid;(R)-(-)-2-Chloromandelic acid;R-2-Chloromandelic Acid; |
| EINECS: | -0 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 119-121 °C(lit.) |
| Boiling Point: | 350.3 °C at 760 mmHg |
| Flash Point: | 165.7 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi,  C
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26-24/25-36 |
| PSA: | 57.53000 |
| LogP: | 1.45800 |
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Specification
The (R)-(-)-2-chloromandelic acid is an organic compound with the formula C8H7ClO3. The IUPAC name of this chemical is (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid. With the CAS registry number 52950-18-2, it is also named as Benzeneacetic acid, 2-chloro-α-hydroxy-, (alphaR)-. The product's categories are Fine Chemical & Intermediates; Chiral; API Intermediates; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place. It is used for pharmaceutical intermediates.
Physical properties about (R)-(-)-2-chloromandelic acid are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): -1.14; (3)ACD/LogD (pH 7.4): -2.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 ?2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 43.79 cm3; (14)Molar Volume: 127 cm3; (15)Polarizability: 17.36×10-24cm3; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.468 g/cm3; (18)Flash Point: 165.7 °C; (19)Enthalpy of Vaporization: 62.78 kJ/mol; (20)Boiling Point: 350.3 °C at 760 mmHg; (21)Vapour Pressure: 1.66E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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-/m1/s1
(3)InChIKey: RWOLDZZTBNYTMS-SSDOTTSWBO
(4)Std. InChI: InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
(5)Std. InChIKey: RWOLDZZTBNYTMS-SSDOTTSWSA-N