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ChemicalBook--->CAS DataBase List--->6269-91-6

6269-91-6

6269-91-6 Structure

6269-91-6 Structure
IdentificationMore
[Name]

2-Methyl-5-nitrobenzenesulfonamide
[CAS]

6269-91-6
[Synonyms]

2-METHYL-5-NITROBENZENESULFONAMIDE
2-METHYL-5-NITROBENZENESULPHONAMIDE
BUTTPARK 52\04-61
IFLAB-BB F1084-0158
4-Nitro-2-toluenesulfonamide
BENZENESULFONAMIDE,2-METHYL-5-NITRO-
2-methyl-5-nitrobenzene-1-sulfonamide
2-Methyl-5-nitro-1-benzenesulfonamide
[EINECS(EC#)]

220-358-3
[Molecular Formula]

C7H8N2O4S
[MDL Number]

MFCD00115503
[Molecular Weight]

216.21
[MOL File]

6269-91-6.mol
Chemical PropertiesBack Directory
[Melting point ]

197-199
[Boiling point ]

431.4±55.0 °C(Predicted)
[density ]

1.475±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

9.56±0.60(Predicted)
[color ]

Yellow to Dark Yellow
[CAS DataBase Reference]

6269-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2935909099
Hazard InformationBack Directory
[Uses]

2-Methyl-5-nitrobenzenesulfonamide is a chemical reagent in the synthesis of good inhibitors of cancer-related carbonic anhydrase. Also used in the synthesis of novel deacetylase inhibitors used in anti-tumor therapy.
[structure and hydrogen bonding]

In the 2-Methyl-5-nitrobenzenesulfonamide, C7H8N2O4S, the nitro group is twisted by 9.61 (2)° relative to the benzene ring. In the crystal, mol-ecules are linked by N—H…O and N—H…(O, O) hydrogen bonds between the amino and sulfonyl groups, forming layers parallel to (001)[1].
2-Methyl-5-nitrobenzenesulfonamide
[References]

[1] Muhammad Zia-Ur-Rehman. “2-Methyl-5-nitro-benzene-sulfonamide.” Acta crystallographica. Section E, Structure reports online 66 Pt 1 (2009): o136.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl-5-nitrobenzenesulfonamide(6269-91-6)FT-IR
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