2-(2-Chloroethoxy)benzene-1-sulfonamide

HCID 13729454CAS 82097-01-6

Substructure search Find similar structures

Basic information

Standard SMILES: NS(=O)(=O)c1ccccc1OCCCl
InChIKey: WAJIUYJWAGLDAC-UHFFFAOYSA-N
Molecular formula: C8H10ClNO3S
Average molar mass: 235.69 g/mol
Monoisotopic mass: 235.00699186

Names & identifiers

Preferred name: 2-(2-Chloroethoxy)benzene-1-sulfonamide
IUPAC: 2-(2-chloroethoxy)benzenesulfonamide
English name: 2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE
Molecular formula: C8H10ClNO3S
Molecular weight: 235.69

Names & synonyms

82097-01-6DTXSID605478052-(2-CHLOROETHOXY)BENZENE-1-SULFONAMIDERefChem:250566DTXCID004985892-(2-Chloroethoxy)benzenesulfonamide2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE2-(2-Chloroethoxy)benzene sulfonamideMFCD03265372Benzenesulfonamide, 2-(2-chloroethoxy)-SCHEMBL8415243SCHEMBL30581190

Show more names

2-(2-CHLOROETHOXY)-BENZENESULFOMIDE2-(2-chloroethoxy)benzensulfonamide2-（ βˊ- Chloroethoxy) benzenesulfonamide2-(2-CHLOROETHOXY)BENZENESULFONAMIDE, 99%+2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE ISO 9001：2015 REACH

2-(2-cloroethoxy)-phenylsulfonami2-(2-cloroethoxy)-phenylsulfonamideCGA1611492-(2-Chloroethoxy)-phenylsulfonamide2-(2-chloro-ethoxy)benzenesulfonamideAKOS008901305(2-[2-Chloroethoxy]benzensulfonamide)AB13878

Database identifiers

CAS: 82097-01-6
PubChem CID: 13729454
DTXSID: DTXSID60547805
UNII: C794426AN5
Nikkaji: J900.594C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 262

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point: 119 °C · 119 °C
Boiling point: 421.1 · 421.1±51.0 °C(Predicted)
Density: 1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.97 · 9.97±0.60(Predicted)
color: White to Off-White
CAS DataBase Reference: 82097 · 82097-01-6(CAS DataBase Reference)
FDA UNII: 794426 AN5 · C794426AN5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501