CAS 60000-87-5 4-acetyl-N,N-dimethylbenzene-1-sulfonamide (HCID 2064041)

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Basic information

CAS: 60000-87-5
Standard SMILES: CC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIKey: JJTSRGOGIDQHGO-UHFFFAOYSA-N
Molecular formula: C10H13NO3S
Average molar mass: 227.28 g/mol
Monoisotopic mass: 227.06161428

Names & identifiers

Preferred name: 4-acetyl-N,N-dimethylbenzene-1-sulfonamide
IUPAC: 4-acetyl-N,N-dimethylbenzenesulfonamide
English name: 4-Acetyl-N,N-dimethyl-benzenesulfonamide
Molecular formula: C10H13NO3S
Molecular weight: 227.28

Names & synonyms

4-acetyl-N,N-dimethylbenzene-1-sulfonamideRefChem:517334847-465-360000-87-54-acetyl-N,N-dimethylbenzenesulfonamide4-Acetyl-N,N-dimethyl-benzenesulfonamide1-acetyl-4-[(dimethylamino)sulfonyl]benzene4-Dimethyl-sulfamylacetophenoneAKOS BBS-00001194Benzenesulfonamide, 4-acetyl-N,N-dimethyl-SCHEMBL5561006DTXSID50366406

Show more names

p-dimethylaminosulphonylacetophenoneKCA00087MFCD02261902SBB038873STK816723AKOS000267024DA-04526SY133149

Database identifiers

CAS: 60000-87-5
PubChem CID: 2064041
DTXSID: DTXSID50366406
EC Number: 847-465-3

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 321

Physicochemical properties

storage temp.: Store at room temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

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, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501