15139-21-6

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15139-21-6 Structure

Identification	Back Directory
[Name] thionitrobenzoic acid
[CAS] 15139-21-6
[Synonyms] thionitrobenzoic acid 5-thio-2-nitrobenzoic acid MDPV Methylenedioxypyrovalerone Benzoic acid, 5-mercapto-2-nitro- Benzoic acid,5-mercapto-2-nitro- CAS NO.15139-21-6
[Molecular Formula] C7H5NO4S
[MOL File] 15139-21-6.mol
[Molecular Weight] 199.18

Chemical Properties	Back Directory
[Boiling point ] 419.2±40.0 °C(Predicted)
[density ] 1.575±0.06 g/cm3(Predicted)
[pka] 1.96±0.25(Predicted)
[InChI] InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
[InChIKey] GANZODCWZFAEGN-UHFFFAOYSA-N
[SMILES] C(O)(=O)C1=CC(S)=CC=C1[N+]([O-])=O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS05
[Signal word ] Danger
[Hazard statements ] H318-H302-H315-H335
[Precautionary statements ] P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

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