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Substance Name: 4-Chlorophenylsulfonyl chloride
RN: 98-60-2
UNII: H55O3362D6
InChIKey: ZLYBFBAHAQEEQQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H4-Cl2-O2-S

Molecular Weight

  • 211.0676
 
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Names and Synonyms

Name of Substance

  • 4-Chlorophenylsulfonyl chloride

Synonyms

  • 4-11-00-00114 (Beilstein Handbook Reference)
  • 4-Chlorobenzenesulfonyl chloride
  • 4-Chlorophenylsulfonyl chloride
  • Benzenesulfonic acid, 4-chloro-, chloride
  • Benzenesulfonyl chloride, 4-chloro-
  • Benzenesulfonyl chloride, p-chloro-
  • BRN 0511583
  • Chlorid kyseliny p-chlorbensulfonove
  • Chlorid kyseliny p-chlorbensulfonove [Czech]
  • EC 202-685-3
  • EINECS 202-685-3
  • HSDB 5318
  • NSC 6956
  • p-Chlorbenzensulfochlorid
  • p-Chlorbenzensulfochlorid [Czech]
  • p-Chlorobenzenesulfonyl chloride
  • p-Chlorophenylsulfonyl chloride
  • UNII-H55O3362D6

Systematic Names

  • 4-Chlorobenzenesulphonyl chloride
  • Benzenesulfonyl chloride, 4-chloro-
  • Benzenesulfonyl chloride, p-chloro-

Registry Numbers

CAS Registry Number

  • 98-60-2

FDA UNII

  • H55O3362D6

Other Registry Number

  • 27415-01-6

System Generated Number

  • 0000098602

Structure Descriptors

InChI

1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey

ZLYBFBAHAQEEQQ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(c1ccc(cc1)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 774, 1955.
rat LD50 oral 4250mg/kg (4250mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1071, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51 deg C   EXP
log P (octanol-water) 3.590 (none)   EST
Atmospheric OH Rate Constant 2.93E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.