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Substance Name: Thiocyanic acid, p-aminophenyl ester
RN: 2987-46-4
InChIKey: NJYFRQQXXXRJHK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Germicide, Bactericide, Disinfectant
  • Skin / Eye Irritant

Molecular Formula

  • C7-H6-N2-S

Molecular Weight

  • 150.204
 
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Names and Synonyms

Synonyms

  • 1-Amino-4-thiocyanatobenzene
  • 4-13-00-01303 (Beilstein Handbook Reference)
  • 4-Thiocyanatobenzenamine
  • 4-Thiocyanoaniline
  • AI3-24798
  • Aniline, p-thiocyanato-
  • Anilinrhodanil
  • Anilinrhodanil [German]
  • BRN 1365182
  • NSC 227955
  • p-Rhodananiline
  • p-Thiocyanatoaniline
  • p-Thiocyano-aniline
  • Rhodan
  • Rodan
  • Rodan [Czech]

Systematic Names

  • Thiocyanic acid, 4-aminophenyl ester (9CI)
  • Thiocyanic acid, p-aminophenyl ester

Registry Numbers

CAS Registry Number

  • 2987-46-4

System Generated Number

  • 0002987464

Structure Descriptors

InChI

1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2

InChIKey

NJYFRQQXXXRJHK-UHFFFAOYSA-N

Smiles

S(C#N)c1ccc(N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 160mg/kg (160mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rabbit LDLo intravenous 2mg/kg (2mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rabbit LDLo subcutaneous 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rat LD50 oral 240mg/kg (240mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 unreported 130mg/kg (130mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 260, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.480 (none)   EST
Water Solubility 376 mg/L 25 EXP
Atmospheric OH Rate Constant 4.27E-11 cm3/molecule-sec 25 EST

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