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Home > Encyclopedia > 4-Bromo-2-chlorobenzotrifluoride

4-Bromo-2-chlorobenzotrifluoride

4-Bromo-2-chlorobenzotrifluoride structure

4-Bromo-2-chlorobenzotrifluoride 

structure
  • CAS No:

    467435-07-0

  • Formula:

    C7H3BrClF3

  • Chemical Name:

    4-Bromo-2-chlorobenzotrifluoride

  • Synonyms:

    4-bromo-2-chloro-1-(trifluoromethyl)benzene;4-Bromo-2-chlorobenzotrifluoride;4-Bromo-2-chloro-1-(trifluoromethyl)benzene4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene;Benzene,4-broMo-2-chloro-1-(trifluoroMethyl)-;2-chloro-4-bromotrifluorotoluene;2-chloro-4-bromo-trifluoromethylbenzene

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Colorless liquid

4-Bromo-2-chlorobenzotrifluoride Basic Attributes

259.45

257.905853

DTXSID70604397

2903999090

Characteristics

0

4.1

1.7±0.1 g/cm3

224.1°C at 760 mmHg

89.3±25.9 °C

1.492

Safety Information

IRRITANT, IRRITANT-HARMFUL

Xi

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-2-chlorobenzotrifluoride Use and Manufacturing

A solution of 4-amino-2-chlorobenzotrifluoride (9.780 g; 50.007 mmol) in MeCN (65 ml) was treated with copper(ll) bromide (1 1.169 g; 50.007 mmol), and the green heterogeneous mixture was heated to 45°C. A solution of tert-butyl nitrite (6.53 ml; 55.008 mmol) in MeCN (10 ml) was then added dropwise over 30 min., and the resulting mixture was further stirred at 45°C for 2h20. The dark heterogeneous reaction mixture was allowed to cool to rt, and was directly purified by FC (DCM). After concentration to dryness under reduced pressure, the expected product 4-bromo-2-chloro-1-trifluoromethyl-benzene was obtained as a yellow oil (12.82O g; 50percent). LC-MS: t

Computed Properties

Molecular Weight:259.45
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Exact Mass:257.90587
Monoisotopic Mass:257.90587
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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