2,3,4,5,6-Pentafluorobenzeneacetonitrile
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2,3,4,5,6-Pentafluorobenzeneacetonitrile
structure -
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CAS No:
653-30-5
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Formula:
C8H2F5N
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Chemical Name:
2,3,4,5,6-Pentafluorobenzeneacetonitrile
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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
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CAS No:
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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2,3,4,5,6-Pentafluorobenzeneacetonitrile
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