Isobutyl cyanoacetate | CAS No. 13361-31-4

Isobutyl cyanoacetate

Basic Information

CAS Number

13361-31-4

Molecular Formula

C7H11NO2

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

Melting Point

-26

Boiling Point

223°C

Flash Point

106 ºC

Refractive Index

1.4212-1.4232

CC(C)COC(=O)CC#N

InChI

InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3

InChIKey

HRGQEKKNLHJZGZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

154

Safety Information

View Safety Information

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • CS-0207346
  • Isobutyl 2-cyanoacetate
  • Cyanoacetic Acid Isobutyl Ester
  • FT-0627354
  • HRGQEKKNLHJZGZ-UHFFFAOYSA-N
  • NS00024298
  • cyanoacetic acid 2-methylpropyl ester
  • AKOS015915498
  • 2-methylpropyl 2-cyanoacetate
  • ID1WNZ1D0S
  • SCHEMBL2530416
  • DTXSID6065424
  • F71285
  • A806646
  • EINECS 236-422-9
  • BCP12770
  • MFCD00044320
  • Isobutyl cyanoacetate
  • ACETIC ACID, CYANO-, ISO-BUTYL ESTER
  • Q27280664
  • Cyanoacetic isobutyl ester
  • ACETIC ACID, CYANO-, ISOBUTYL ESTER
  • F0001-0446
  • Acetic acid, cyano-, 2-methylpropyl ester
  • Cyanoacetic acid, isobutyl ester
  • BS-11774
  • UNII-ID1WNZ1D0S
  • Isobutyryl cyanoacetate
  • 13361-31-4
  • BRN 1761677
  • Acetic acid, 2-cyano-, 2-methylpropyl ester

MDL Number

MFCD00044320

Customs Code

2926909090

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