CAS 23530-40-7 N-methyl-2-nitrobenzene-1-sulfonamide (HCID 264906)

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Basic information

CAS: 23530-40-7
Standard SMILES: CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIKey: DLJPYODODWSDBI-UHFFFAOYSA-N
Molecular formula: C7H8N2O4S
Average molar mass: 216.22 g/mol
Monoisotopic mass: 216.02047791

Names & identifiers

Preferred name: N-methyl-2-nitrobenzene-1-sulfonamide
IUPAC: N-methyl-2-nitrobenzenesulfonamide
English name: N-Methyl-2-nitrobenzenesulphonamide
Molecular formula: C7H8N2O4S
Molecular weight: 216.21

Names & synonyms

N-methyl-2-nitrobenzene-1-sulfonamideRefChem:830395817-106-5N-Methyl-2-nitrobenzenesulfonamide23530-40-7Benzenesulfonamide, N-methyl-2-nitro-N-Methyl-2-nitro-benzenesulfonamideMFCD01115621SCHEMBL46064Z45527658methyl[(2-nitrophenyl)sulfonyl]amineN-Methyl-2-nitrobenzenesulphonamide

Show more names

2-(N-Methylsulphamoyl)nitrobenzene2-(N-Methylsulphamoyl)nitrobenzene, 2-[(Methylamino)sulphonyl]nitrobenzene

2-[(Methylamino)sulphonyl]nitrobenzene2-nitro-N-methylbenzenesulfonamideBenzenesulfonaMide,N-Methyl-2-nitro-NSC100347FT-06809563-AMINO-5-CYANO-BENZOICACIDMETHYLESTERNCIOpen2_006761SCHEMBL30339289

Database identifiers

CAS: 23530-40-7
PubChem CID: 264906
DTXSID: DTXSID10295208
EC Number: 817-106-5

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 303

Physicochemical properties

Melting point: 109 · 109-111
Boiling point: 378.6 · 378.6±44.0 °C(Predicted)
Density: 1.423 · 1.423±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.6 · 10.60±0.10(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.