ChemicalBook--->CAS DataBase List--->439579-12-1

439579-12-1

439579-12-1 Structure

439579-12-1 Structure
IdentificationBack Directory
[Name]

5-mercapto-2-methoxy-4-methylbenzoic acid
[CAS]

439579-12-1
[Synonyms]

5-mercapto-2-methoxy-4-methylbenzoic acid
Benzoic acid, 5-mercapto-2-methoxy-4-methyl-
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C9H10O3S
[MDL Number]

MFCD09831918
[MOL File]

439579-12-1.mol
[Molecular Weight]

198.24
Chemical PropertiesBack Directory
[Boiling point ]

379.6±42.0 °C(Predicted)
[density ]

1.280±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

4.01±0.10(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C9H10O3S/c1-5-3-7(12-2)6(9(10)11)4-8(5)13/h3-4,13H,1-2H3,(H,10,11)
[InChIKey]

XNKVDVNVKYMYFS-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(S)=C(C)C=C1OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2930909899
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