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Substance Name: Benzene, 1-fluoro-4-isothiocyanato-
RN: 1544-68-9
InChIKey: NFIUJHJMCQQYDL-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-F-N-S

Molecular Weight

  • 153.18
 
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Names and Synonyms

Synonyms

  • 4-12-00-01110 (Beilstein Handbook Reference)
  • 4-Fluorophenyl isothiocyanate
  • BRN 0636596
  • EINECS 216-280-4
  • Isothiocyanic acid, p-fluorophenyl ester
  • NSC 78433
  • p-Fluorophenyl isothiocyanate

Systematic Names

  • 4-Fluorophenyl isothiocyanate
  • Benzene, 1-fluoro-4-isothiocyanato-
  • Isothiocyanic acid, p-fluorophenyl ester

Registry Numbers

CAS Registry Number

  • 1544-68-9

System Generated Number

  • 0001544689

Structure Descriptors

InChI

1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

NFIUJHJMCQQYDL-UHFFFAOYSA-N

Smiles

c1(ccc(F)cc1)N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00950,