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4-(Acetyloxy)benzonitrile

4-(Acetyloxy)benzonitrile structure

CAS No:
13031-41-9
Formula:
C9H7NO2
Chemical Name:
4-(Acetyloxy)benzonitrile
Synonyms:
Benzonitrile,4-(acetyloxy)-;Benzonitrile,p-hydroxy-,acetate (ester);Benzonitrile,p-hydroxy-,acetate;4-(Acetyloxy)benzonitrile;p-Acetoxybenzonitrile;p-Cyanophenyl acetate;4-Acetoxybenzonitrile;4-Cyanophenyl acetate

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4-(Acetyloxy)benzonitrile Basic Attributes

Molecular Weight：

161.16 g/mol

Exact Mass：

161.16

EC Number：

235-893-8

UNII：

EEL1PCP8AM

DSSTox ID：

DTXSID8027741

Characteristics

PSA：

50.1 Å²

Melting Point：

57 °C

Boiling Point：

149-150 °C @ Press: 14 Torr

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-(Acetyloxy)benzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 4-(acetyloxy)-: INACTIVE

Computed Properties

Molecular Weight:161.16
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Acetyloxy)benzonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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