4-Bromo-2-chlorobenzotrifluoride
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4-Bromo-2-chlorobenzotrifluoride
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CAS No:
467435-07-0
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Formula:
C7H3BrClF3
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Chemical Name:
4-Bromo-2-chlorobenzotrifluoride
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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
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CAS No:
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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4-Bromo-2-chlorobenzotrifluoride
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