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Propyl cyanoacetate

Propyl cyanoacetate structure

CAS No:
14447-15-5
Formula:
C6H9NO2
Chemical Name:
Propyl cyanoacetate
Synonyms:
Acetic acid,2-cyano-,propyl ester;Acetic acid,cyano-,propyl ester;Propyl cyanoacetate;n-Propyl cyanoacetate;Cyanoacetic acid propyl ester;Propyl 2-cyanoacetate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Propyl cyanoacetate Basic Attributes

Molecular Weight：

127.14

Exact Mass：

127.14

EC Number：

238-424-5

DSSTox ID：

DTXSID5073400

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

0.59

Density：

1.0249 g/cm³ @ Temp: 20 °C

Boiling Point：

216-216.5 °C @ Press: 754 Torr

Flash Point：

108°C

Refractive Index：

1.421

Vapor Pressure：

0.243mmHg at 25°C

Safety Information

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:127.14
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:9
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Propyl cyanoacetate

CAS No.: 14447-15-5

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