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3-Ethoxypropanenitrile

3-Ethoxypropanenitrile structure

CAS No:
2141-62-0
Formula:
C5H9NO
Chemical Name:
3-Ethoxypropanenitrile
Synonyms:
Propanenitrile,3-ethoxy-;Propionitrile,3-ethoxy-;Propionitrile,β-ethoxy-;3-Ethoxypropanenitrile;β-Ethoxypropionitrile;3-Ethoxypropionitrile;Ethyl β-cyanoethyl ether;NSC 7767

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Description

Colorless liquid

3-Ethoxypropanenitrile Basic Attributes

Molecular Weight：

99.13

Exact Mass：

99.13

BRN：

741924

EC Number：

218-393-4

NSC Number：

7767

DSSTox ID：

DTXSID0051861

HScode：

2926909090

Characteristics

PSA：

XLogP3：

0.1

Density：

0.8904 g/cm³ @ Temp: 20 °C

Melting Point：

48.9 °C

Boiling Point：

171 °C

Flash Point：

64°C

Refractive Index：

1.400

Peroxide Forming Chemical：

3-Ethoxypropionitrile|D: Other compounds that may form peroxides|Kelly

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-36-37

RTECS Number：

TZ4680000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Ethoxypropanenitrile Use and Manufacturing

Methods of Manufacturing

The ethanol solution of 2-ethoxy bromoethane was added to the sodium cyanide aqueous solution under vigorous stirring. After the addition was completed, slowly refluxed for 10 hours, and then the mixture was fractionated to collect the 95-140°C fraction and extract the fraction with benzene . The benzene extract is mixed with the distillation residue, filtered, and the filtrate is distilled to collect the 169-174°C fraction to obtain 3-ethoxypropionitrile. The yield is 52-58%.

Uses

Thiadiazole derivatives; pharmaceutical intermediates

Manufacturing Info：

Propanenitrile, 3-ethoxy-: ACTIVE

Computed Properties

Molecular Weight:99.13
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:99.068413911
Monoisotopic Mass:99.068413911
Topological Polar Surface Area:33
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethoxypropanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

3-Ethoxypropanenitrile

SDS

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