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Home > Encyclopedia > 3,4-Bis(trifluoroMethyl)broMobenzene

3,4-Bis(trifluoroMethyl)broMobenzene

3,4-Bis(trifluoroMethyl)broMobenzene structure

3,4-Bis(trifluoroMethyl)broMobenzene 

structure
  • CAS No:

    320-29-6

  • Formula:

    C8H3BrF6

  • Chemical Name:

    3,4-Bis(trifluoroMethyl)broMobenzene

  • Synonyms:

    4-bromo-1,2-bis(trifluoromethyl)benzene;320-29-6;3,4-Bis(trifluoromethyl)bromobenzene;SCHEMBL6267032;KS-00000SEG;BBL103601;MFCD06253758;STL557411;ZINC91251923;AKOS003587362

3,4-Bis(trifluoroMethyl)broMobenzene Basic Attributes

293.0038392

291.932220

Characteristics

0

4.4

1.7±0.1 g/cm3

-48.0--47.0 °C

181.6°C at 760 mmHg

63.7±25.9 °C

1.422

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3,4-Bis(trifluoroMethyl)broMobenzene Use and Manufacturing

Sodium Hydride (60% oil suspension, 5 mmol, 200 mg) is triturated with hexane and suspended in N, N-dimethylformamide (4 mL). 1, 2, 3, 9-Tetrahydro-carbazol-4-one (2.5 mmol, 462 mg) is added to the water-cooled suspension. After 5 minutes, 5-bromo-2-trifluorobenzotrifluoride (5 mmol, 0.71 g) is added. The reaction is stirred at 85 degrees Celsius for 3.5 h. The reaction mixture is allowed to cool and is extracted into ethyl acetate (200 mL) and is washed with water (50 mL). The organic phase is dried over magnesium sulfate. Filtration, followed by concentration, and silica gel chromatography affords the desired 9-(4-Bromo-2-trifluoromethyl-phenyl)-1, 2, 3, 9-tetrahydro-carbazol-4-one as a brown foam (0.74 g, 73%).

Computed Properties

Molecular Weight:293.00
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Exact Mass:291.93223
Monoisotopic Mass:291.93223
Heavy Atom Count:15
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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