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2-CHLORO-4-NITROBENZOTRIFLUORIDE

2-CHLORO-4-NITROBENZOTRIFLUORIDE structure

2-CHLORO-4-NITROBENZOTRIFLUORIDE 

structure
  • CAS No:

    151504-80-2

  • Formula:

    C7H3ClF3NO2

  • Chemical Name:

    2-CHLORO-4-NITROBENZOTRIFLUORIDE

  • Synonyms:

    2-CHLORO-4-NITROBENZOTRIFLUORIDE;2-Chloro-4-nitro-1-trifluoromethylbenzene;2-Chloro-4-nitro-1-(trifluoromethyl)benzene, 3-Chloro-4-(trifluoromethyl)nitrobenzene

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

2-CHLORO-4-NITROBENZOTRIFLUORIDE Basic Attributes

225.55

224.98000

DTXSID00381220

2904909090

Characteristics

45.8

3.3

Colorless to pale yellow Liquid

1.537g/cm3

247.4°C at 760 mmHg

103.4ºC

1.493

Room temperature.

0.0405mmHg at 25°C

Safety Information

IRRITANT

20/21/22-36/37/38

26-36/37/39

Xi

Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

2-CHLORO-4-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 TMSCF

Computed Properties

Molecular Weight:225.55
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Exact Mass:224.9804405
Monoisotopic Mass:224.9804405
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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