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Substance Name: Cyanoacetic acid
RN: 372-09-8
UNII: QZT550H2Y9
InChIKey: MLIREBYILWEBDM-UHFFFAOYSA-N

Molecular Formula

  • C3-H3-N-O2

Molecular Weight

  • 85.0617
 
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Names and Synonyms

Name of Substance

  • Cyanoacetic acid

Synonyms

  • 4-02-00-01888 (Beilstein Handbook Reference)
  • Acide cyanacetique
  • Acide cyanacetique [French]
  • AI3-15026
  • BRN 0506325
  • Cyanessigsaeure
  • Cyanessigsaeure [German]
  • Cyanoacetic acid
  • EC 206-743-9
  • EINECS 206-743-9
  • HSDB 272
  • Kyselina kyanoctova
  • Kyselina kyanoctova [Czech]
  • Malonic acid mononitrile
  • Malonic mononitrile
  • Monocyanoacetic acid
  • NSC 5571
  • UNII-QZT550H2Y9
  • USAF KF-17

Systematic Names

  • Acetic acid, 2-cyano-
  • Acetic acid, cyano-
  • Cyanoacetic acid

Superlist Names

  • Acetic acid, cyano-
  • Cyanoacetic acid

Registry Numbers

CAS Registry Number

  • 372-09-8

FDA UNII

  • QZT550H2Y9

System Generated Number

  • 0000372098

Structure Descriptors

InChI

1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)

InChIKey

MLIREBYILWEBDM-UHFFFAOYSA-N

Smiles

C(C(=O)O)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 1300mg/kg (1300mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD691-490,
rabbit LDLo subcutaneous 1900mg/kg (1900mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LD50 oral 1500mg/kg (1500mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 12JAN1981,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
pKa Dissociation Constant 2.45 (none) 25 EXP
log P (octanol-water) -0.76 (none)   EXP
Water Solubility 7.68E+05 mg/L 25 EST
Henry's Law Constant 2.27E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.53E-13 cm3/molecule-sec 25 EST

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