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Home > Encyclopedia > 2,3,4,5,6-Pentafluorobenzeneacetonitrile

2,3,4,5,6-Pentafluorobenzeneacetonitrile

2,3,4,5,6-Pentafluorobenzeneacetonitrile structure

2,3,4,5,6-Pentafluorobenzeneacetonitrile 

structure
  • CAS No:

    653-30-5

  • Formula:

    C8H2F5N

  • Chemical Name:

    2,3,4,5,6-Pentafluorobenzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,2,3,4,5,6-pentafluoro-;Acetonitrile,(pentafluorophenyl)-;2,3,4,5,6-Pentafluorobenzeneacetonitrile;(Pentafluorophenyl)acetonitrile;Pentafluorobenzyl cyanide;2,3,4,5,6-Pentafluorophenylacetonitrile;NSC 612875;2,3,4,5,6-Pentafluoro-1-(cyanomethyl)benzene;2-(Perfluorophenyl)acetonitrile;2-(2,3,4,5,6-Pentafluorophenyl)acetonitrile;2-(Pentafluorophenyl)acetonitrile

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

clear colorless to slightly yellow liquid

2,3,4,5,6-Pentafluorobenzeneacetonitrile Basic Attributes

207.100

207.10

211-498-6

L3H6KE6UX6

612875

DTXSID10215643

2926909090

Characteristics

23.79000

1.63

1.5±0.1 g/cm3

107-111 °C @ Press: 17 Torr

72.6±25.9 °C

1.435

Insoluble in water.

Safety Information

III

6.1

3276

3

R20/21/22;R36/37/38

S26-S37/39

Xn:Harmful;

P261-P280-P305 + P351 + P338

H302 + H312 + H332-H315-H319-H335

|Warning|H302 (95.74%): 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, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.10
XLogP3:2.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:207.01073988
Monoisotopic Mass:207.01073988
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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