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Butanoic acid, 2-cyano-, ethyl ester

Butanoic acid, 2-cyano-, ethyl ester structure

CAS No:
1619-58-5
Formula:
C7H11NO2
Chemical Name:
Butanoic acid, 2-cyano-, ethyl ester
Synonyms:
Butanoic acid,2-cyano-,ethyl ester;Butyric acid,2-cyano-,ethyl ester;Butyric acid,α-cyano-,Et ester;Ethyl 2-cyanobutyrate;Ethyl α-cyanobutyrate;Ethyl 2-cyanobutanoate;NSC 1101
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

colorless liquid

Butanoic acid, 2-cyano-, ethyl ester Basic Attributes

Molecular Weight：

141.17

Exact Mass：

141.17

NSC Number：

1101

DSSTox ID：

DTXSID80277197

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

1.3

Appearance：

Colorless Liquid

Density：

0.9836 g/cm³ @ Temp: 25 °C

Melting Point：

220-223 °C

Boiling Point：

95.5 °C @ Press: 13.5 Torr

Flash Point：

83°(181°F)

Refractive Index：

1.417

Safety Information

Hazard category：

6.1

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:141.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:10
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ethyl 2-cyanobutanoate

CAS No.: 1619-58-5

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Guide of Butanoic acid, 2-cyano-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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Butanoic acid, 2-cyano-, ethyl ester

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