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Substance Name: Ethyl isocyanate
RN: 109-90-0
UNII: B02YQ4MIR0
InChIKey: WUDNUHPRLBTKOJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H5-N-O

Molecular Weight

  • 71.0785
 
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Names and Synonyms

Name of Substance

  • Ethyl isocyanate

Synonyms

  • AI3-28798
  • EINECS 203-717-9
  • Ethane, isocyanato-
  • Ethyl isocyanate
  • HSDB 6318
  • Isocyanatoethane
  • Isocyanic acid, ethyl ester
  • NSC 89687
  • UNII-B02YQ4MIR0

Systematic Names

  • Ethane, isocyanato-
  • Ethyl isocyanate
  • Isocyanic acid, ethyl ester

Superlist Names

  • Ethyl isocyanate
  • Ethyl isocyanate [UN2481] [Flammable liquid]
  • UN2481

Registry Numbers

CAS Registry Number

  • 109-90-0

FDA UNII

  • B02YQ4MIR0

Other Registry Number

  • 1025436-17-2

System Generated Number

  • 0000109900

Structure Descriptors

InChI

1S/C3H5NO/c1-2-4-3-5/h2H2,1H3

InChIKey

WUDNUHPRLBTKOJ-UHFFFAOYSA-N

Smiles

C(C)N=C=O

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#02910,
rat LCLo inhalation 240mg/m3/6H (240mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0528345,
rat LDLo oral 230mg/kg (230mg/kg)   National Technical Information Service. Vol. OTS0528345,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 60 deg C   EXP
log P (octanol-water) 1.280 (none)   EST
Atmospheric OH Rate Constant 1.10E-12 cm3/molecule-sec 25 EST

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