CAS 6319-45-5 N-Methyl-4-nitrobenzenesulfonamide (HCID 232993)

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Basic information

CAS: 6319-45-5
Standard SMILES: CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: IHIJFQRUYCEKCZ-UHFFFAOYSA-N
Molecular formula: C7H8N2O4S
Average molar mass: 216.22 g/mol
Monoisotopic mass: 216.02047774

Names & identifiers

Preferred name: N-Methyl-4-nitrobenzenesulfonamide
IUPAC: N-methyl-4-nitrobenzenesulfonamide
English name: N1-Methyl-4-nitrobenzene-1-sulfonamide
Molecular formula: C7H8N2O4S
Molecular weight: 216.21

Names & synonyms

N-Methyl-4-nitrobenzenesulfonamide6319-45-5DTXSID80283359RefChem:1091899DTXCID50234510N-methyl-4-nitrobenzene-1-sulfonamideN1-METHYL-4-NITROBENZENE-1-SULFONAMIDEMFCD00277214CHEMBL34350N-Methyl-4-nitro-benzenesulfonamideBenzenesulfonamide, N-methyl-4-nitro-NSC31052

Show more names

N-(4-NITROPHENYLSULFONYL)METHYLAMINEInchi=1/C7H8N2o4S/C1-8-14(12,13)7-4-2-6(3-5-7)9(10)11/H2-5,8H,1h

SCHEMBL526906SCHEMBL6308870N-Methyl-p-nitrobenzenesulfonamideBDBM50226405CCG-42990methyl[(4-nitrophenyl)sulfonyl]amineN-Methyl-4-nitrobenzenesulfonamide #NSC-31052

Database identifiers

CAS: 6319-45-5
PubChem CID: 232993
DTXSID: DTXSID80283359
ChEMBL: CHEMBL34350
Nikkaji: J986.152A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 295

Physicochemical properties

Melting point: 105 · 105-106 °C
Boiling point: 377.7 · 377.7±44.0 °C(Predicted)
Density: 1.423 · 1.423±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.31 · 10.31±0.30(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501