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Substance Name: 4-Chlorophenyl methyl sulfide
RN: 123-09-1
UNII: 031E43FWKK
InChIKey: KIQQUVJOLVCZKG-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Skin / Eye Irritant

Molecular Formula

  • C7-H7-Cl-S

Molecular Weight

  • 158.6513
 
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Names and Synonyms

Name of Substance

  • 4-Chlorophenyl methyl sulfide

Synonyms

  • 1-Chloro-4-(methylthio)benzene
  • 4-06-00-01581 (Beilstein Handbook Reference)
  • 4-Chlorothioanisole
  • BRN 2041509
  • CCRIS 6731
  • EINECS 204-600-5
  • Methyl 4-chlorophenyl sulfide
  • Methyl p-chlorophenyl sulfide
  • NSC 72090
  • p-Chlophenyl methyl sulfide
  • p-Chlorophenyl methyl sulfide
  • p-Chlorothioanisole
  • UNII-031E43FWKK

Systematic Names

  • 1-Chloro-4-(methylthio)benzene
  • Benzene, 1-chloro-4-(methylthio)-
  • p-Chlorophenyl methyl sulfide
  • Sulfide, p-chlorophenyl methyl

Registry Numbers

CAS Registry Number

  • 123-09-1

FDA UNII

  • 031E43FWKK

System Generated Number

  • 0000123091

Structure Descriptors

InChI

1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey

KIQQUVJOLVCZKG-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 672mg/kg (672mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. AD-A082-824,
rat LD50 oral 400mg/kg (400mg/kg)   Toxicology Letters. Vol. 1000(Sp,
rat LD50 oral 400mg/kg (400mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Toxicology Letters. Vol. 1000(Sp,
rat LDLo skin 5630mg/kg (5630mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
National Technical Information Service. Vol. AD-A082-824,