Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-

HCID 67302CAS 137-49-5

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Basic information

Standard SMILES: O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl
InChIKey: BEEGBBKQFMABPW-UHFFFAOYSA-N
Molecular formula: C12H9ClN2O4S
Average molar mass: 312.73 g/mol
Monoisotopic mass: 311.9971556

Names & identifiers

Preferred name: Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
IUPAC: 4-chloro-3-nitro-N-phenylbenzenesulfonamide
English name: 3-Nitro-4-chloro benzene sulfonanilide
Molecular formula: C12H9ClN2O4S
Molecular weight: 312.73

Names & synonyms

Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-4-Chloro-3-nitrobenzenesulfonanilide4-Chloro-3-nitro-N-phenylbenzenesulphonamideEINECS 205-297-2NSC 93776Benzenesulfonanilide, 4-chloro-3-nitro-AI3-28300DTXSID4059673RefChem:563767DTXCID6034396Benzenesulfonanilide, 4-chloro-3-nitro-(8CI)205-297-2

Show more names

N,N-dipentylbenzamideo-Nitro-p-chloro benzene sulfanilide4-Chlor-3-nitro-N-phenylbenzolsulfonamid4-chloro-3-nitro-n-phenyl-benzenesulfonamid

137-49-54-chloro-3-nitro-N-phenylbenzenesulfonamide4-chloro-3-nitro-N-phenylbenzene-1-sulfonamideC12H9ClN2O4S4-Chloro-3-nitro-N-phenyl-benzenesulfonamide3-NITRO-4-CHLORO BENZENE SULFONANILIDEMFCD00085540NSC93776

Database identifiers

CAS: 137-49-5
PubChem CID: 67302
DTXSID: DTXSID4059673
EC Number: 205-297-2
Nikkaji: J30.681I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 439

Physicochemical properties

Boiling point: 474.5 · 474.5±55.0 °C(Predicted)
Density: 1.545 · 1.545±0.06 g/cm3(Predicted)
pka: 7.19 · 7.19±0.10(Predicted)
EPA Substance Registry System: 4 · Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl- (137-49-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.