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Substance Name: Methyl cyanoacetate
RN: 105-34-0
UNII: A28RI36V30
InChIKey: ANGDWNBGPBMQHW-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-N-O2

Molecular Weight

  • 99.0885
 
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Names and Synonyms

Name of Substance

  • Methyl cyanoacetate

Synonyms

  • 4-02-00-01889 (Beilstein Handbook Reference)
  • AI3-05599
  • BRN 0773945
  • Cyanoacetic acid methyl ester
  • EC 203-288-8
  • EINECS 203-288-8
  • Methyl 2-cyanoacetate
  • Methyl cyanoacetate
  • Methyl cyanoethanoate
  • Methylester kyseliny kyanoctove
  • Methylester kyseliny kyanoctove [Czech]
  • NSC 3113
  • RTECS AI1190000
  • UNII-A28RI36V30
  • USAF KF-22

Systematic Names

  • Acetic acid, 2-cyano-, methyl ester
  • Acetic acid, cyano-, methyl ester
  • Methyl cyanoacetate

Registry Numbers

CAS Registry Number

  • 105-34-0

FDA UNII

  • A28RI36V30

System Generated Number

  • 0000105340

Structure Descriptors

InChI

1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

InChIKey

ANGDWNBGPBMQHW-UHFFFAOYSA-N

Smiles

C(CC#N)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo skin 400mg/kg (400mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 920, 1986.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.25E+01 deg C   EXP
Boiling Point 200.5 deg C   EXP
log P (octanol-water) -0.47 (none)   EXP
Water Solubility 1.61E+05 mg/L 25 EST
Vapor Pressure 0.138 mm Hg 25 EXP
Henry's Law Constant 7.27E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.73E-13 cm3/molecule-sec 25 EST

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