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Phenylmethyl 2-cyanoacetate

Phenylmethyl 2-cyanoacetate structure

Phenylmethyl 2-cyanoacetate 

structure
  • CAS No:

    14447-18-8

  • Formula:

    C10H9NO2

  • Chemical Name:

    Phenylmethyl 2-cyanoacetate

  • Synonyms:

    Acetic acid,2-cyano-,phenylmethyl ester;Acetic acid,cyano-,benzyl ester;Acetic acid,cyano-,phenylmethyl ester;Phenylmethyl 2-cyanoacetate;Benzyl cyanoacetate;Cyanoacetic acid phenylmethyl ester;Cyanoacetic acid benzyl ester;1654002-82-0

Phenylmethyl 2-cyanoacetate Basic Attributes

175.18

175.18

2096578

DTXSID70340021

29269090

Characteristics

50.1

1.8

1.144 g/mL at 25 °C

61-62 °C

134-136 °C @ Press: 0.5 Torr

>100°C

1.5195

Safety Information

UN 3276 6.1 / PGIII

2

22

24/25-36

Xn

Harmful

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:175.18
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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