4-METHYL-3-NITROBENZOTRIFLUORIDE
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4-METHYL-3-NITROBENZOTRIFLUORIDE
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CAS No:
65754-26-9
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Formula:
C8H6F3NO2
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Chemical Name:
4-METHYL-3-NITROBENZOTRIFLUORIDE
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Synonyms:
4-METHYL-3-NITROBENZOTRIFLUORIDE;1-METHYL-2-NITRO-4-(TRIFLUOROMETHYL)BENZENE;2-NITRO-4-(TRIFLUOROMETHYL)TOLUENE;Benzene, 1-methyl-2-nitro-4-(trifluoromethyl)-
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CAS No:
Safety Information
Harmful
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-METHYL-3-NITROBENZOTRIFLUORIDE Use and Manufacturing
General procedure: An oven-dried Schlenk tube (A) equipped with a magnetic stir bar was charged with AgF (132.2 mg, 1.05 mmol, 3.5 equiv), sealed with a septum, and degassed by alternating vacuum evacuation and nitrogen backfill (three times) before freshly distilled EtCN (3 mL)was added. To the resulting suspension, which was precooled to –78 °C (dry ice–acetone bath), was added TMSCFReferential Example 10
Computed Properties
Molecular Weight:205.13
XLogP3:3
Hydrogen Bond Acceptor Count:5
Exact Mass:205.03506292
Monoisotopic Mass:205.03506292
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-METHYL-3-NITROBENZOTRIFLUORIDE
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