2-Chloro-3,5-dinitrobenzotrifluoride
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2-Chloro-3,5-dinitrobenzotrifluoride
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CAS No:
392-95-0
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Formula:
C7H2ClF3N2O4
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Chemical Name:
2-Chloro-3,5-dinitrobenzotrifluoride
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Synonyms:
Benzene,2-chloro-1,5-dinitro-3-(trifluoromethyl)-;Toluene,2-chloro-α,α,α-trifluoro-3,5-dinitro-;2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene;2-Chloro-3,5-dinitrobenzotrifluoride;2-Chloro-3,5-dinitro-α,α,α-trifluorotoluene;2-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene;1-Chloro-2,4-dinitro-6-(trifluoromethyl)benzene
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CAS No:
2-Chloro-3,5-dinitrobenzotrifluoride Basic Attributes
270.55
270.55
2061156
206-883-0
DTXSID9073177
2904909090
Characteristics
91.6
2.97
white to light yellow crystal powder
1.7±0.1 g/cm3
57-59 °C
250C
126.2±25.9 °C
1.533
Insoluble in water. soluble in Chloroform, Methanol.
Safety Information
III
8
1759
3
36/37/38-34-20/21/22
26-37/39-36-45-36/37/39
CZ0525750
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
2-Chloro-3,5-dinitrobenzotrifluoride Use and Manufacturing
The preparation method is to add 2-chlorotrifluorotoluene to the nitrification kettle, start stirring, cool to 20°C, add the prepared mixed acid, and operate carefully to prevent the reaction from violently causing the material to run. Put it into the secondary nitrification kettle. The operation is the same as before. Add more concentrated mixed acid. After the reaction is completed, let it stand and separate. The material is neutralized, washed with water, filtered, dried, and recrystallized with ethanol to obtain the product.
A benzene derivative that increases mutagenic activity in the glutathione transferase mutant (C36).
Computed Properties
Molecular Weight:270.55
XLogP3:3.1
Hydrogen Bond Acceptor Count:7
Exact Mass:269.9655187
Monoisotopic Mass:269.9655187
Topological Polar Surface Area:91.6
Heavy Atom Count:17
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-3,5-dinitrobenzotrifluoride
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