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2-(Acetyloxy)benzonitrile

2-(Acetyloxy)benzonitrile structure

2-(Acetyloxy)benzonitrile 

structure
  • CAS No:

    5715-02-6

  • Formula:

    C9H7NO2

  • Chemical Name:

    2-(Acetyloxy)benzonitrile

  • Synonyms:

    Benzonitrile,2-(acetyloxy)-;Salicylonitrile,acetate;2-(Acetyloxy)benzonitrile;Acetylsalicylonitrile;2-Cyanophenyl acetate;2-Acetoxybenzonitrile;o-Acetoxybenzonitrile

Description

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

2-(Acetyloxy)benzonitrile Basic Attributes

161.16

161.16

227-210-7

DTXSID40205779

2926909090

Characteristics

50.1

1.3

1.14

252-254 °C

119-121

132ºC

1.535

Safety Information

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:1.3
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:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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