4-Chlorophenyl benzenesulfonate | CAS No. 80-38-6

4-Chlorophenyl benzenesulfonate

Basic Information

CAS Number

80-38-6

Molecular Formula

C12H9ClO3S

Molecular Weight

268.72 g/mol

AD

Basic Physical Properties

Melting Point

62 ºC

Boiling Point

407.0±37.0 °C at 760 mmHg

Density

1.33 g/cm3

Solubility

Insuluble (8.9E-3 g/L) (25 ºC),

Vapor Pressure

0.0±0.9 mmHg at 25°C

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H

InChIKey

SPJOZZSIXXJYBT-UHFFFAOYSA-N

LogP

3.107700000000002

Topological Polar Surface Area

43.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

322

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • NCGC00255899-01
  • p-Chlorofenylester kyseliny benzenesulfonove [Czech]
  • p-Chlorophenyl benzenesulfonate
  • Phenizon
  • Aracid
  • NSC 406662
  • ENT 4,585
  • FENSON [ISO]
  • CHEMBL1495617
  • Fenson
  • (4-Chlor-phenyl)-benzolsulfonat
  • Fenson 10 microg/mL in Cyclohexane
  • CAS-80-38-6
  • Z45513525
  • CPBS
  • PCBS
  • AKOS001592601
  • Q22807557
  • NSC-406662
  • Caswell No. 207
  • Benzenesulfonic acid, 4-chlorophenyl ester
  • CHEBI:82160
  • p-Chlorofenylester kyseliny benzenesulfonove
  • NS00006078
  • (4-Chlor-phenyl)-benzolsulfonat [German]
  • PCPBS
  • para-Chlorophenyl benzenesulfonate
  • (4-Cloro-fenil)-benzol-solfonato
  • p-Chlorofenylester kyseliny benzensulfonove
  • Benzenesulfonate de 4-chlorophenyle [French]
  • (4-Cloro-fenil)-benzol-solfonato [Italian]

MDL Number

MFCD00055414

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