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61008-98-8

61008-98-8 Structure

61008-98-8 Structure
IdentificationBack Directory
[Name]

(R)-(-)-3-CHLOROMANDELIC ACID
[CAS]

61008-98-8
[Synonyms]

(R)-3-CHLOROMANDELIC ACID
(R)-m-Chloromandelic acid
(R)-(-)-3-CHLOROMANDELIC ACID
(R)-(-)-3-ChloroMandelic acid 97%
(2R)-2-(3-chlorophenyl)-2-hydroxy-aceticacid
(R)-2-(3-Chlorophenyl)-2-hydroxyethanoic acid
Benzeneacetic acid, 3-chloro-α-hydroxy-, (R)-
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD04038807
[MOL File]

61008-98-8.mol
[Molecular Weight]

186.59
Chemical PropertiesBack Directory
[Melting point ]

100-104 °C(lit.)
[Boiling point ]

348.2±27.0 °C(Predicted)
[density ]

1.468
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

3.24±0.10(Predicted)
[color ]

White
[Optical Rotation]

[α]30/D 124°, c = 3 in H2O
[InChI]

1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
[InChIKey]

SAMVPMGKGGLIPF-SSDOTTSWSA-N
[SMILES]

O[C@@H](C(O)=O)c1cccc(Cl)c1
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(R)-(-)-3-Chloromandelic Acid is a reagent used in asymmetric syntheses due to its chirality. Used in the synthesis of a fluorescent analog of phenytoin as an inhibitor of neuropathic pain.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-3-CHLOROMANDELIC ACID(61008-98-8)1HNMR
(R)-(-)-3-CHLOROMANDELIC ACID(61008-98-8)IR
(R)-(-)-3-CHLOROMANDELIC ACID(61008-98-8)FT-IR
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