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2-Ethyl-4-pyridinecarbonitrile

2-Ethyl-4-pyridinecarbonitrile structure

CAS No:
1531-18-6
Formula:
C8H8N2
Chemical Name:
2-Ethyl-4-pyridinecarbonitrile
Synonyms:
4-Pyridinecarbonitrile,2-ethyl-;Isonicotinonitrile,2-ethyl-;2-Ethyl-4-pyridinecarbonitrile;4-Cyano-2-ethylpyridine;2-Ethylisonicotinonitrile;2-Ethyl-4-cyanopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Ethyl-4-pyridinecarbonitrile Basic Attributes

Molecular Weight：

132.16252

Exact Mass：

132.16

EC Number：

216-238-5

UNII：

BBA424N182

DSSTox ID：

DTXSID90165218

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

1.2

Density：

1.05

Boiling Point：

106-110 °C @ Press: 29 Torr

Flash Point：

87℃

Refractive Index：

1.519

Vapor Pressure：

0.183mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

3276

hazard class code：

6.1

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Ethyl-4-pyridinecarbonitrile Use and Manufacturing

General procedure: Benzonitrile 1a (1 mmol), Na2S*9H2O (1.2 mmol) and DMF (1 mL) were added into a 10 mL bottle. The reactor was placed in a heating magnetic stirrer at 130 C. After 2.5 h, by adding about 3 mL H2O after the reaction to disperse the solid product, the reaction mixture was extracted with EtOAc (3 x 3 mL), and the mixture was purified by column chromatography.Weigh 2.32 g of

Computed Properties

Molecular Weight:132.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Ethyl-4-pyridinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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2-Ethyl-4-pyridinecarbonitrile

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