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Home > Encyclopedia > 3-(2-Fluorophenyl)-3-oxopropionitrile

3-(2-Fluorophenyl)-3-oxopropionitrile

3-(2-Fluorophenyl)-3-oxopropionitrile structure

3-(2-Fluorophenyl)-3-oxopropionitrile 

structure
  • CAS No:

    31915-26-1

  • Formula:

    C9H6FNO

  • Chemical Name:

    3-(2-Fluorophenyl)-3-oxopropionitrile

  • Synonyms:

    2-Fluorobenzoylacetonitrile;3-(2-Fluorophenyl)-3-oxopropionitrile;2-Fluoro-β-oxo-benzenepropanenitrile;o-Fluorobenzoylacetonitrile;o-Fluorophenacyl Cyanide;o-Fluoro-ω-cyanoacetophenone

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Yellow Solid

3-(2-Fluorophenyl)-3-oxopropionitrile Basic Attributes

163.15

163.043335

DTXSID90407160

2926909090

Characteristics

40.9

0.60

1.2±0.1 g/cm3

60-62

297.3±20.0 °C at 760 mmHg

133.6±21.8 °C

1.516

Safety Information

IRRITANT

Xi

Irritant

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

H315

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:163.15
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.043341977
Monoisotopic Mass:163.043341977
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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