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76496-63-4

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76496-63-4 Structure

76496-63-4 Structure
IdentificationBack Directory
[Name]

(S)-4-CHLOROMANDELIC ACID
[CAS]

76496-63-4
[Synonyms]

L-4-chloro Mandelic acid
(S)-4-CHLOROMANDELIC ACID
(S)-2-(4-Chlorophenyl)-2-hydroxyacetic acid
Benzeneacetic acid, 4-chloro-α-hydroxy-, (αS)-
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD00798439
[MOL File]

76496-63-4.mol
[Molecular Weight]

186.59
Chemical PropertiesBack Directory
[Melting point ]

113 - 116°C
[Boiling point ]

361.4±27.0 °C(Predicted)
[density ]

1.468±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

3.14±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/s3
[InChIKey]

BWSFWXSSALIZAU-KPOCXSGKNA-N
[SMILES]

[C@@H](O)(C(=O)O)C1=CC=C(Cl)C=C1 |&1:0,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2918199890
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-CHLOROMANDELIC ACID(76496-63-4)1HNMR
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