ChemicalBook--->CAS DataBase List--->39161-84-7

39161-84-7

39161-84-7 Structure

39161-84-7 Structure
IdentificationBack Directory
[Name]

4-MERCAPTOPHENYLACETIC ACID
[CAS]

39161-84-7
[Synonyms]

4-MERCAPTOBENZENEACETATE
4-MERCAPTOPHENYLACETIC ACID
Benzeneacetic acid,4-mercapto-
4-Mercaptophenylacetic acid 97%
4-Mercaptophenylacetic acid≥ 98% (HPLC)
[Molecular Formula]

C8H8O2S
[MDL Number]

MFCD00797617
[MOL File]

39161-84-7.mol
[Molecular Weight]

168.21
Chemical PropertiesBack Directory
[Appearance]

White Powder
[Melting point ]

105-109 °C(lit.)
[Boiling point ]

336.0±17.0 °C(Predicted)
[density ]

1.299±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

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

Solid
[pka]

4.21±0.10(Predicted)
[color ]

Off-White
[Water Solubility ]

Slightly soluble in water. Soluble in Dichloromethane, Ethanol and Methanol
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
[InChIKey]

ORXSLDYRYTVAPC-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=C(S)C=C1
Hazard InformationBack Directory
[Chemical Properties]

White Powder
[Uses]

A redox buffer that increases the folding rate of disulfide-containing proteins realative to traditional buffers such as glutathione and glutathione-disulfide. A useful synthetic intermediate for the preparation of novel antiinflammatory agents.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-36/37/39
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

4-MERCAPTOPHENYLACETIC ACID(39161-84-7)1HNMR
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