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3-Ethylbenzonitrile

3-Ethylbenzonitrile structure

CAS No:
34136-57-7
Formula:
C9H9N
Chemical Name:
3-Ethylbenzonitrile
Synonyms:
3-ETHYLBENZONITRILE;NSC 86573;3-ethylbenzenecarbonitrile;3-Ethylbenzonitril;4-(2-hydroxy-3-methylbut-3-enoxy)-8H-benzo[f]benzofuran-7-one;Benzonitrile, 3-ethyl-

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3-Ethylbenzonitrile Basic Attributes

Molecular Weight：

131.17

Exact Mass：

131.073499291 g/mol

UNII：

920IKI3200

NSC Number：

86573

DSSTox ID：

DTXSID90187718

Characteristics

PSA：

23.8 Å²

Density：

0.98±0.1 g/cm3

Boiling Point：

91-92 °C(Press: 7-8 Torr)

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Computed Properties

Molecular Weight:131.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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