4-Acetylbenzenesulphonamide

HCID 74065

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1565-17-9
Standard SMILES: CC(=O)c1ccc(S(N)(=O)=O)cc1
InChIKey: CSATVXJBGFVJES-UHFFFAOYSA-N
Molecular formula: C8H9NO3S
Average molar mass: 199.23 g/mol
Monoisotopic mass: 199.03031415

Names & identifiers

Preferred name: 4-Acetylbenzenesulphonamide
IUPAC: 4-acetylbenzenesulfonamide
English name: 4-Acetylbenzenesulphonamide
Molecular formula: C8H9NO3S
Molecular weight: 199.23

Names & synonyms

4-Acetylbenzenesulfonamide4-AcetylbenzenesulphonamideRefChem:517339216-363-51565-17-9Benzenesulfonamide, 4-acetyl-P-ACETYLBENZENESULFONAMIDE4-Acetyl-benzenesulfonamide4-acetylbenzene-1-sulfonamidep-AcetobenzenesulfonamideMFCD00792524CHEMBL172294

Show more names

BUTTPARK 81\03-100p-acetyl-benzenesulfonamid4-ethanoylbenzenesulfonamideBenzenesulfonamide,4-acetyl-

4-acetyl-benzenesulfonamidBRN 2099150EINECS 216-363-5Benzenesulfonamide, p-acetyl-Benzenesulfonamide, p-acetyl- (6CI,7CI,8CI)4-(Aminosulfonyl)acetophenone; p-Acetobenzenesulfonamide; p-Acetylbenzenesulfonamide4-SulphamylacetophenoneA1CUB

Database identifiers

CAS: 1565-17-9
PubChem CID: 74065
DTXSID: DTXSID80166092
ChEMBL: CHEMBL172294
EC Number: 216-363-5
Nikkaji: J206.802H

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 85.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 283

Experimental & physicochemical properties

LogP0.31

Physicochemical properties

Melting point: 177 · 177-179℃
Boiling point: 397.4 · 397.4±44.0 °C(Predicted)
Density: 1.3589 · 1.3589 (rough estimate)
refractive index: 1.565 · 1.5650 (estimate)
RTECS: 9386000 · DA9386000
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 9.7 · 9.70±0.10(Predicted)
color: White to Light yellow
Water Solubility: soluble in water( 2650 mg/L).
CAS DataBase Reference: 1565 · 1565-17-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HS Code: 2935.9 · 2935.90.9500
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.3%): 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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.