Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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

Molecular Formula

  • C4-H5-N-O2

Molecular Weight

  • 99.0885
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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
  • 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.