4-(N-methylacetamido)benzene-1-sulfonyl chloride

HCID 293146

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Basic information

CAS: 39169-92-1
Standard SMILES: CC(=O)N(C)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: FJXBSNLZPGJSAT-UHFFFAOYSA-N
Molecular formula: C9H10ClNO3S
Average molar mass: 247.7 g/mol
Monoisotopic mass: 247.00699186

Names & identifiers

Preferred name: 4-(N-methylacetamido)benzene-1-sulfonyl chloride
IUPAC: 4-[acetyl(methyl)amino]benzenesulfonyl chloride
English name: 4-(N-methylacetamido)benzene-1-sulfonyl chloride
Molecular formula: C9H10ClNO3S
Molecular weight: 247.7

Names & synonyms

4-(N-METHYLACETAMIDO)BENZENE-1-SULFONYL CHLORIDERefChem:516505871-685-939169-92-14-[acetyl(methyl)amino]benzenesulfonyl chlorideMFCD100373464-(n-methylacetamido)benzenesulfonyl chloride4-(acetyl-methyl-amino)-benzenesulfonyl chloride4-(N-acetyl-N-methylamino)benzenesulfonyl chlorideNSC159468Benzenesulfonyl chloride, 4-(acetylmethylamino)-SCHEMBL3067655

Show more names

4-[acetl(methyl)amino]benzenesulfonyl chloride

DTXSID50303634FJXBSNLZPGJSAT-UHFFFAOYSA-NAKOS000732351NSC-159468NS-03621SY196245DB-218501CS-0147274

Database identifiers

CAS: 39169-92-1
PubChem CID: 293146
DTXSID: DTXSID50303634
EC Number: 871-685-9

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 328

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Light brown to brown Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H318
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501