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Ethyl 2-cyanopropanoate

Ethyl 2-cyanopropanoate structure

CAS No:
1572-99-2
Formula:
C6H9NO2
Chemical Name:
Ethyl 2-cyanopropanoate
Synonyms:
Propanoic acid,2-cyano-,ethyl ester;Propionic acid,2-cyano-,ethyl ester;Ethyl 2-cyanopropanoate;Ethyl 2-cyanopropionate;Ethyl α-cyanopropionate;2-Cyanopropanoic acid ethyl ester;NSC 68508;2-Cyanopropionic acid ethyl ester;59440-52-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Ethyl 2-cyanopropionate is an alpha-substituted cyanoacetate ester and an ethyl ester.

Ethyl 2-cyanopropanoate Basic Attributes

Molecular Weight：

127.14

Exact Mass：

127.14

EC Number：

216-393-9

NSC Number：

68508

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

0.9

Density：

0.998 g/cm³ @ Temp: 22 °C

Boiling Point：

89-90 °C @ Press: 20 Torr

Flash Point：

78.9±5.2 °C

Refractive Index：

1.419

Safety Information

Packing level：

Ⅲ

Transport codes：

3276

hazard class code：

6.1

safety instructions：

23-36/37/39

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:127.14
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:9
Complexity:144
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 2-cyanopropionate

CAS No.: 1572-99-2

Content: 99.00%

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