3,4,5-Trifluoronitrobenzene
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3,4,5-Trifluoronitrobenzene
structure -
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CAS No:
66684-58-0
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Formula:
C6H2F3NO2
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Chemical Name:
3,4,5-Trifluoronitrobenzene
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Synonyms:
Benzene,1,2,3-trifluoro-5-nitro-;1,2,3-Trifluoro-5-nitrobenzene;3,4,5-Trifluoronitrobenzene;3,4,5-Trifluoro-1-nitrobenzene;5-Nitro-1,2,3-trifluorobenzene
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CAS No:
Characteristics
45.8
2.2
light yellow crystal
1.6±0.1 g/cm3
208.6°C at 760 mmHg
167 °F
1.487
Room temperature.
Safety Information
III
6.1
UN 2810 6.1/PG 3
3
25
45
T,Xi
Irritant
P264-P301 + P310
H300
|Danger|H300 (84.44%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4,5-Trifluoronitrobenzene Use and Manufacturing
A solution of t-butyl nitrite (340 mL) in DMF (150 mL) was added to a stirring solution of 6-nitro 2, 3, 4-TRIFLUOROANILINE (500 g), obtained in step 3, in DMF (1 L) at 45-75 °C under argon over 3 h. After stirring for 1 h at the same temperature, the reaction mixture was treated with 20percent aq. HC1 (2 L) under cooling. The resultant solution was steam distilled to yield 3, 4, 5-trifluoronitrobenzene as a yellow liquid and was separated from the distillate (289 g, 62percent). The sample obtained this way was found to be ca. 90percent pure by GC. APOS;H NMR : 6 8.13-7. 92 (m, 2H).
Pharmaceutical and pesticide intermediates.
Computed Properties
Molecular Weight:177.08
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Exact Mass:177.00376279
Monoisotopic Mass:177.00376279
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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