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

HCID 67301

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Basic information

CAS: 137-48-4
Standard SMILES: CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: UMNGEAKUUOJPAX-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O4S
Average molar mass: 250.66 g/mol
Monoisotopic mass: 249.98150538

Names & identifiers

Preferred name: Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
IUPAC: 4-chloro-N-methyl-3-nitrobenzenesulfonamide
English name: 2-Nitrochlorobenzene-4-sulfomethyl amide
Molecular formula: C7H7ClN2O4S
Molecular weight: 250.66

Names & synonyms

137-48-44-chloro-n-methyl-3-nitrobenzenesulfonamideBenzenesulfonamide, 4-chloro-N-methyl-3-nitro-EINECS 205-296-7DTXSID9059672RefChem:117727DTXCID1034395UMNGEAKUUOJPAX-UHFFFAOYSA-N2-Nitrochlorobenzene-4-sulfomethyl amide4-chloro-N-methyl-3-nitrobenzene-1-sulfonamideCHEMBL504044-Chloro-N-methyl-3-nitro-benzenesulfonamide

Show more names

(4-Chloro-3-nitrobenzoyl)sulfaMic acid2-nitrochlorobenzene-4-sulfonylmethylamineN-Methyl-3-nitro-4-chlorobenzenesulfonamide2-Chloro-5-(N-methylsulfamoyl)-nitrobenzene

4-Chloro-N-methyl-3-nitrobenzenesulphonamideMFCD00035884SCHEMBL6868214-Chlor-5-nitro-sulfonmethylamidBDBM50101955EBC-06548AKOS001052614CS-0307742

Database identifiers

CAS: 137-48-4
PubChem CID: 67301
DTXSID: DTXSID9059672
ChEMBL: CHEMBL50404
EC Number: 205-296-7
Nikkaji: J30.822F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 334

Physicochemical properties

Melting point: 61 · 61-63 °C
Boiling point: 392.5 · 392.5±52.0 °C(Predicted)
Density: 1.53 · 1.530±0.06 g/cm3(Predicted)
pka: 10.08 · 10.08±0.50(Predicted)
EPA Substance Registry System: 4 · Benzenesulfonamide, 4-chloro-N-methyl-3-nitro- (137-48-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 412 · H412-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2009 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.