(2S)-(2-Chlorophenyl)(hydroxy)acetic acid

Basic Information

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CAS Number

52950-19-3

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

118-121 °C

Boiling Point

350.3℃ at 760 mmHg

Density

1.468

Flash Point

165.7℃

Specific Rotation

124 º (c=3,H2O)

SMILES

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C1=CC=C(C(=C1)C(C(=O)O)O)Cl

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-/m0/s1

InChIKey

RWOLDZZTBNYTMS-ZETCQYMHSA-N

LogP

1.4579999999999997

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

172

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(2S)-2-(2-chlorophenyl)-2-hydroxy-acetic acid
RWJ-333369 METABOLITE M5
(S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
SCHEMBL197618
EC 700-307-6
AS-30993
(S)-2-Chloromandelic acid, 99%
R288222
UNII-P3948WAT0C
MFCD00798437
(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid
CS-W002685
DTXSID201312276
AKOS015889820
(+)-2-CHLOROMANDELIC ACID
S-(+)-2-Chloromandelic acid
A870862
2-Chloro-L-mandelic Acid
RWOLDZZTBNYTMS-ZETCQYMHSA-N
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (S)-
S-O-CHLOROMANDELICACID
(S)-(+)-2-(2-Chlorophenyl)-2-hydroxyacetic acid
P3948WAT0C
(S)-2-Chloromandelic acid
(S)-2'-Chloro-alpha-hydroxyphenylacetic Acid
C2738
AC-10661
(S)-(+)-2-Chloromandelic acid
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (.ALPHA.S)-
(s)-o-chloromandelic acid
(S)-(+)-2-Chloromandelic acid, 97%

MDL Number

MFCD00798437

Customs Code

2918199090

FAQ

What are the physical and chemical properties of (2S)-(2-Chlorophenyl)(hydroxy)acetic acid (CAS: 52950-19-3)?

The physical and chemical properties of (2S)-(2-Chlorophenyl)(hydroxy)acetic acid include a white or off-white crystalline solid with a molecular weight of approximately 224.63 g/mol. It has a low solubility in water (0.4 g/100 mL at 25°C) and exhibits acidity due to the carboxylic acid group. The compound is reactive towards bases and can form salts. It is also susceptible to hydrolysis under basic conditions.

How is (2S)-(2-Chlorophenyl)(hydroxy)acetic acid (CAS: 52950-19-3) typically synthesized?

The synthesis of (2S)-(2-Chlorophenyl)(hydroxy)acetic acid typically involves the condensation of 2-chlorophenol with acetic anhydride, followed by hydrolysis to form the acetic acid derivative. Commonly, a strong base like sodium hydroxide is used in the hydrolysis step. The process requires careful control of pH and temperature to achieve high yields and selectivity.

What industries use (2S)-(2-Chlorophenyl)(hydroxy)acetic acid (CAS: 52950-19-3)?

The (2S)-(2-Chlorophenyl)(hydroxy)acetic acid (CAS: 52950-19-3) is utilized in the pharmaceutical industry for the synthesis of certain drugs due to its chemical structure. It is also employed in polymer synthesis as a monomer, and in the production of sensors and semiconductors for its ability to interact with specific chemical environments.

What precautions should be taken when handling (2S)-(2-Chlorophenyl)(hydroxy)acetic acid (CAS: 52950-19-3)?

When handling (2S)-(2-Chlorophenyl)(hydroxy)acetic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhaling vapors. Spills should be cleaned up using protective gear and proper spill kits. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.