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Home > Encyclopedia > 3-CYANOPROPIONICACIDMETHYLESTER

3-CYANOPROPIONICACIDMETHYLESTER

3-CYANOPROPIONICACIDMETHYLESTER structure

3-CYANOPROPIONICACIDMETHYLESTER 

structure
  • CAS No:

    4107-62-4

  • Formula:

    C5H7NO2

  • Chemical Name:

    3-CYANOPROPIONICACIDMETHYLESTER

  • Synonyms:

    Methylcyanopropanoate;METHYL3-CYANOPROPIONATE;Methyl3-cyanopropanoate;Methylbeta-cyanopropionate;cyanopropionicacidmethylester;3-Cyanopropanoicacidmethylester;3-CYANOPROPIONICACIDMETHYLESTER;Propionicacid,3-cyano-,methylester;Propanoicacid,3-cyano-,methylester;3-CYANOPROPIONICACIDMETHYLESTER99+%

Description

Colorless transparent liquid

3-CYANOPROPIONICACIDMETHYLESTER Basic Attributes

113.11500

113.04800

71943

DTXSID80194032

2926909090

Characteristics

50.09000

0.46318

1.08 g/cm3

216ºC

87.5ºC

1.422

Safety Information

UN 3276

R20/21/22

S26-S36-S53

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301

|Danger|H227 (33.33%): Combustible liquid [Warning Flammable liquids]|P201, P202, P210, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:113.11
XLogP3:-0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:113.047678466
Monoisotopic Mass:113.047678466
Topological Polar Surface Area:50.1
Heavy Atom Count:8
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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