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Substance Name: Fumaryl chloride
RN: 627-63-4
UNII: B95L4812RG
InChIKey: ZLYYJUJDFKGVKB-OWOJBTEDSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H2-Cl2-O2

Molecular Weight

  • 152.964
 
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Names and Synonyms

Name of Substance

  • Fumaryl chloride

Synonyms

  • 4-02-00-02217 (Beilstein Handbook Reference)
  • AI3-14665
  • BRN 1721342
  • Chlorure de fumaryle
  • Chlorure de fumaryle [French]
  • Dichlorid kyseliny fumarove
  • Dichlorid kyseliny fumarove [Czech]
  • EINECS 211-005-4
  • Fumaroyl chloride
  • Fumaroyl dichloride
  • Fumarylchlorid
  • Fumarylchlorid [Czech]
  • TL 189
  • UNII-B95L4812RG

Systematic Names

  • 2-Butenedioyl dichloride, (2E)-
  • 2-Butenedioyl dichloride, (E)-
  • Fumaroyl chloride
  • Fumaryl chloride

Superlist Names

  • Fumaryl chloride
  • Fumaryl chloride [UN1780] [Corrosive]
  • UN1780

Registry Numbers

CAS Registry Number

  • 627-63-4

FDA UNII

  • B95L4812RG

System Generated Number

  • 0000627634

Structure Descriptors

InChI

1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+

InChIKey

ZLYYJUJDFKGVKB-OWOJBTEDSA-N

Smiles

C(\C=C\C(=O)Cl)(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 1000mg/m3/10M (1000mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

MUSCULOSKELETAL: OTHER CHANGES
National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. MAY1942,
rabbit LD50 skin 1410uL/kg (1.41mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 500ppm/4H (500ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 810uL/kg (0.81mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 159 deg C   EXP
log P (octanol-water) 0.100 (none)   EST
Water Solubility 6.05E+04 mg/L 25 EST
Vapor Pressure 2.07 mm Hg 25 EXP
Henry's Law Constant 1.99E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.91E-12 cm3/molecule-sec 25 EST

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