CAS 109012-23-9 3-Chlorobenzenesulfonamide (HCID 519377)

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Basic information

CAS: 109012-23-9
Standard SMILES: NS(=O)(=O)c1cccc(Cl)c1
InChIKey: WSYQJNPRQUFCGL-UHFFFAOYSA-N
Molecular formula: C6H6ClNO2S
Average molar mass: 191.64 g/mol
Monoisotopic mass: 190.9807773

Names & identifiers

Preferred name: 3-Chlorobenzenesulfonamide
IUPAC: 3-chlorobenzenesulfonamide
English name: 3-CHLOROBENZENESULFONAMIDE
Molecular formula: C6H6ClNO2S
Molecular weight: 191.64

Names & synonyms

3-Chlorobenzenesulfonamide17260-71-8Benzenesulfonamide, 3-chloro-DTXSID80333989RefChem:93506DTXCID20285079674-121-8109012-23-9WSYQJNPRQUFCGL-UHFFFAOYSA-N3-chlorobenzene-1-sulfonamide3-ChlorobenzenesulphonamideMFCD00051976

Show more names

3-Chlorobenzenesulphonamide-98%3-CHLOROBENZENESULFONAMIDE, 9 8%

3-Chloro-benzenesulfonamideCHEMBL369271M-chlorobenzenesulfonamideF2199-0297Benzenesulfonamide, 3-chloro- (9CI)A1CUC3-chlorobenzensulfonamide3-chlorophenylsulfonamide

Database identifiers

CAS: 109012-23-9、17260-71-8
PubChem CID: 519377
DTXSID: DTXSID80333989
ChEMBL: CHEMBL369271
EC Number: 674-121-8、846-096-5
Nikkaji: J409.563D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 143 · 143-145°C
Boiling point: 357.9 · 357.9±44.0 °C(Predicted)
Density: 1.2702 · 1.2702 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: 2 · 2-8°C
pka: 9.81 · 9.81±0.60(Predicted)
Appearance: White to off-white Solid
Water Solubility: Slightly soluble in water.
BRN: 2832245 · 2832245
CAS DataBase Reference: 17260 · 17260-71-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.