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Substance Name: 1-Propene, 3-isocyanato-
RN: 1476-23-9
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N

Note

  • A glycosinolate degradation product that has insectidical activity.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H5-N-O

Molecular Weight

  • 83.0895
 
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Names and Synonyms

Synonyms

  • 3-Isocyanato-1-propene
  • 4-04-00-01081 (Beilstein Handbook Reference)
  • Allyl isocyanate
  • BRN 0506106
  • Isocyanic acid, allyl ester
  • NSC 96964
  • Propene, 3-isocyanato-

Systematic Names

  • 1-Propene, 3-isocyanato-
  • Isocyanic acid, allyl ester

Registry Numbers

CAS Registry Number

  • 1476-23-9

System Generated Number

  • 0001476239

Structure Descriptors

InChI

1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

InChIKey

HXBPYFMVGFDZFT-UHFFFAOYSA-N

Smiles

C(N=C=O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03769,
rat LD50 oral 178uL/kg (0.178mL/kg) LIVER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0534570,