Methyl cyanoacetate | CAS No. 105-34-0

Methyl cyanoacetate

Basic Information

CAS Number

105-34-0

Molecular Formula

C4H5NO2

Molecular Weight

88.11 g/mol

EINECS

203-288-8

AD

Basic Physical Properties

Physical State

Clear colorless to very slightly yellow

Melting Point

-13 °C

Boiling Point

204-207 °C

Density

1.123 g/mL at 25 °C

Water Solubility

54 g/L (20 ºC)

Flash Point

>230 °F

Solubility

54g/l

Refractive Index

n20/D 1.417(lit.)

Vapor Pressure

0.2 mm Hg ( 20 °C)

Vapor Density

3.41 (vs air)

COC(=O)CC#N

InChI

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

InChIKey

ANGDWNBGPBMQHW-UHFFFAOYSA-N

LogP

0.5693999999999999

pKa

2.75±0.10(Predicted)

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

110

Safety Information

View Safety Information

GHS Hazard Pictograms

H319H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

guinea pig,LDLo,skin,400mg/kg (400mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 920, 1986.

Synonyms & References

English

  • 2-cyanoacetic acid, methyl ester
  • METHYL CYANOACETATE
  • DTXSID8033649
  • starbld0016244
  • UNII-A28RI36V30
  • DTXCID6013649
  • MethylCyanoacetate
  • methyl cyano acetate
  • Methylester kyseliny kyanoctove
  • FT-0624127
  • SMR001261799
  • Methyl cyanoethanoate
  • BCP25864
  • Tox21_200938
  • NSC-3113
  • NSC3113
  • Cyanoacetic acid, methyl ester
  • methyl-cyanoacetate
  • METHYL .ALPHA.-CYANOACETATE
  • CHEBI:51928
  • 105-34-0
  • WLN: NC1VO1
  • J-001390
  • cyano-acetic acid methyl ester
  • AKOS000118973
  • NS00005550
  • (Methoxycarbonyl)acetonitrile
  • USAF KF-22
  • MFCD00001939
  • NSC68507
  • Methylester kyseliny kyanoctove [Czech]

MDL Number

MFCD00001939

EC Number

203-288-8

Customs Code

29269095

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