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4,4-Diethoxybutanenitrile

4,4-Diethoxybutanenitrile structure

CAS No:
18381-45-8
Formula:
C8H15NO2
Chemical Name:
4,4-Diethoxybutanenitrile
Synonyms:
Butanenitrile,4,4-diethoxy-;Succinaldehydonitrile,diethyl acetal;Propionaldehyde,3-cyano-,diethyl acetal;4,4-Diethoxybutanenitrile;4,4-Diethoxybutyronitrile;3-Cyanopropionaldehyde diethyl acetal
Categories:
Chemical Reagents > Organic Reagents

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Description

Colorless Oil

4,4-Diethoxybutanenitrile Basic Attributes

Molecular Weight：

157.21

Exact Mass：

157.21

EC Number：

242-263-6

DSSTox ID：

DTXSID20171483

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

1.68928

Density：

0.947 g/cm³ @ Temp: 25 °C

Boiling Point：

104-106 °C

Flash Point：

195 °F

Refractive Index：

n 20/D 1.419(lit.)

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

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, P312, P322, P330, P363, 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.

4,4-Diethoxybutanenitrile Use and Manufacturing

Used in the preparation of indole cPLA2α inhibitors.

Computed Properties

Molecular Weight:157.21
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:157.110278721
Monoisotopic Mass:157.110278721
Topological Polar Surface Area:42.2
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4-Diethoxybutanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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4,4-Diethoxybutanenitrile

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