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4-METHYL-3-NITROBENZOTRIFLUORIDE

4-METHYL-3-NITROBENZOTRIFLUORIDE structure

4-METHYL-3-NITROBENZOTRIFLUORIDE 

structure
  • CAS No:

    65754-26-9

  • Formula:

    C8H6F3NO2

  • Chemical Name:

    4-METHYL-3-NITROBENZOTRIFLUORIDE

  • Synonyms:

    4-METHYL-3-NITROBENZOTRIFLUORIDE;1-METHYL-2-NITRO-4-(TRIFLUOROMETHYL)BENZENE;2-NITRO-4-(TRIFLUOROMETHYL)TOLUENE;Benzene, 1-methyl-2-nitro-4-(trifluoromethyl)-

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

4-METHYL-3-NITROBENZOTRIFLUORIDE Basic Attributes

205.13

205.035065

DTXSID10363017

2904909090

Characteristics

45.8

3

1.4±0.1 g/cm3

206.6±35.0℃ (760 Torr)

78.8±25.9℃

1.476

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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