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Substance Name: Butyl thiocyanate
RN: 628-83-1
UNII: Y19G61H3JY
InChIKey: HXNXAEYAXNPLHJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N-S

Molecular Weight

  • 115.199
 
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Names and Synonyms

Name of Substance

  • Butyl thiocyanate

Synonyms

  • 1-Thiocyanobutane
  • 4-03-00-00329 (Beilstein Handbook Reference)
  • AI3-28245
  • BRN 1098562
  • Butyl thiocyanate
  • Butylthiokyanat
  • Butylthiokyanat [Czech]
  • Butyrhodanid
  • Butyrhodanid [German]
  • EINECS 211-056-2
  • n-Butyl rhodanate
  • n-Butyl thiocyanate
  • NSC 1478
  • UNII-Y19G61H3JY

Systematic Names

  • Butyl thiocyanate
  • Thiocyanic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 628-83-1

FDA UNII

  • Y19G61H3JY

System Generated Number

  • 0000628831

Structure Descriptors

InChI

1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3

InChIKey

HXNXAEYAXNPLHJ-UHFFFAOYSA-N

Smiles

C(CCC)SC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13mg/kg (13mg/kg)   Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.
mouse LDLo subcutaneous 124mg/kg (124mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rabbit LDLo subcutaneous 3mg/kg (3mg/kg) BLOOD: NORMOCYTIC ANEMIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: LEUKOPENIA
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rat LDLo skin 2385mg/kg (2385mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo subcutaneous 66780ug/kg (66.78mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat TDLo oral 238mg/kg (238mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 186 deg C   EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 1930 mg/L 25 EST
Vapor Pressure 0.306 mm Hg 25 EST
Henry's Law Constant 1.03E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EST

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