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Substance Name: Propane, 1-isocyanato-
RN: 110-78-1
InChIKey: OQURWGJAWSLGQG-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-N-O

Molecular Weight

  • 85.1053
 
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Names and Synonyms

Synonyms

  • 1-Isocyanatopropane
  • 1-Propyl isocyanate
  • AI3-28281
  • EINECS 203-803-6
  • m-Propyl isocyanate
  • NSC 89688
  • Propane, 1-isocyanato-
  • Propyl isocyanate

Systematic Names

  • Isocyanic acid, propyl ester
  • Propane, 1-isocyanato-
  • Propyl isocyanate

Superlist Names

  • n-Propyl isocyanate
  • n-Propyl isocyanate [UN2482] [Poison]
  • UN2482

Registry Numbers

CAS Registry Number

  • 110-78-1

System Generated Number

  • 0000110781

Structure Descriptors

InChI

1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey

OQURWGJAWSLGQG-UHFFFAOYSA-N

Smiles

C(N=C=O)CC

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#02916,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 83.5 deg C   EXP
log P (octanol-water) 1.770 (none)   EST
Atmospheric OH Rate Constant 2.46E-12 cm3/molecule-sec 25 EST

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