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825-99-0

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825-99-0 Structure

825-99-0 Structure
IdentificationBack Directory
[Name]

3-(Methylthio)benzoic acid
[CAS]

825-99-0
[Synonyms]

3-(Methylthio)benzoic acid
3-methylsulfanylbenzoic acid
3-(METHYLTHIO)BENZOIC ACID 97
3-(Methylthio)benzoic acid 97%
3-(Methylthio)benzoic acid 98+%
3-(Methylsulphanyl)benzoic acid, 3-Carboxythioanisole
[Molecular Formula]

C8H8O2S
[MDL Number]

MFCD00156993
[MOL File]

825-99-0.mol
[Molecular Weight]

168.21
Chemical PropertiesBack Directory
[Melting point ]

126-130 °C(lit.)
[Boiling point ]

321.5±25.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.05±0.10(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

It is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Methylthio)benzoic acid(825-99-0)MS
3-(Methylthio)benzoic acid(825-99-0)IR1
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