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83237-49-4

83237-49-4 Structure

83237-49-4 Structure
IdentificationBack Directory
[Name]

5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
[CAS]

83237-49-4
[Synonyms]

5-(α-carboxyethyl)-2-phenylthio phenylacetic acid
5-(1-carboxylethyl)-2-phenylthiobenzeneacetic acid
2-[3-acetyloxy-4-(phenylthio)phenyl]propanoic acid
5-(A-CARBOXY ETHYL)-2-PHENYL THIOPHENYL ACETICACID
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
1,3-Benzenediacetic acid, α1-methyl-4-(phenylthio)-
5-(alpha-Carboxyethyl)-2-Phenylthio-Phenylacetic Acid
5-(-carboxyethyl)-2-phenylthio-phenylacetic acid (intermediate of zaltoprofen)
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C17H16O4S
[MDL Number]

MFCD09952329
[MOL File]

83237-49-4.mol
[Molecular Weight]

316.37
Chemical PropertiesBack Directory
[Melting point ]

145-146 °C(Solv: 1,2-dichloroethane (107-06-2))
[Boiling point ]

517.4±50.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Acetone (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

4.09±0.10(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C17H16O4S/c1-11(17(20)21)12-7-8-15(13(9-12)10-16(18)19)22-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,18,19)(H,20,21)
[InChIKey]

HCKQCCUGCHJSOS-UHFFFAOYSA-N
[SMILES]

C(C1C=C(C(C)C(=O)O)C=CC=1SC1C=CC=CC=1)C(=O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

2-(3-(Carboxymethyl)-4-(phenylthio)-phenyl)propanoic Acid is an intermediate used to prepare Zaltoprofen (Z146000) which is anti-inflammatory.
Spectrum DetailBack Directory
[Spectrum Detail]

5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid(83237-49-4)1HNMR
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