3,4,5-Trifluorobenzonitrile
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3,4,5-Trifluorobenzonitrile
structure -
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CAS No:
134227-45-5
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Formula:
C7H2F3N
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Chemical Name:
3,4,5-Trifluorobenzonitrile
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Synonyms:
Benzonitrile,3,4,5-trifluoro-;3,4,5-Trifluorobenzonitrile
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CAS No:
Characteristics
23.8
2
semi-transparent crystals
1.2465 (estimate)
45-47 °C(lit.)
72-73 °C10 mm Hg(lit.)
145 °F
1.464
0.541mmHg at 25°C
Safety Information
III
6.1
UN 1325 4.1/PG 2
3
11-36/37/38-20/21/22
16-33-36-26-36/37/39
F,T,Xi,Xn
Toxic
P210, P240, P241, 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, P370+P378, P501
H228
|Warning|H228 (82.98%): Flammable solid [Danger Flammable solids]|P210, P240, P241, 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, P370+P378, 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.
3,4,5-Trifluorobenzonitrile Use and Manufacturing
A solution of General procedure: Carbazole (1670 mg, 10.0 mmol) or diphenylamine (1.69 g, 10.0 mmol) in dry THF (20mL) was added slowly to a stirred solution of NaH (60% in oil, 600 mg, 15 mmol) dry THF (20 mL) under a nitrogen atmosphere at room temperature. After 30 min, tetrafluorophthalonitrile (400 mg, 2.0 mmol), tetrafluoroisophthalonitrile (400 mg, 2.0 mmol), pentafluorobenzonitrile (3470 mg, 1.8 mmol), In a 100mL Schlenk bottle, Add A mixture of Int 57 (300 mg, 1.63 mmol, 1 eq),
Computed Properties
Molecular Weight:157.09
XLogP3:2
Hydrogen Bond Acceptor Count:4
Exact Mass:157.01393355
Monoisotopic Mass:157.01393355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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