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4-Bromo-3-nitrobenzotrifluoride

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4-Bromo-3-nitrobenzotrifluoride manufacturers

4-Bromo-3-nitrobenzotrifluoride Basic information
Product Name:4-Bromo-3-nitrobenzotrifluoride
Synonyms:4-Bromo-3-Nitrobenzotrifluoride 3-Nitro-4-Bromobenzotrifluoride;4-Bromo-3-nitrobenzotrifluoride 99%;4-Bromo-3-nitrobenzotrifluoride99%;1-BOMO-4-(TRIFLUOROMETHYL)-2-NITROBENZENE;4-Bromo-3-nitrobenzotrifluoride, 98+%;1-Bromo-4-(trifluoromethyl)-2-nitrobenzene;4-Bromo-3-nitrobenzotrifluoride,97%;4-Bromo-3-Nitrobenzotrifluoride 3-Nitro-
CAS:349-03-1
MF:C7H3BrF3NO2
MW:270
EINECS:670-406-6
Product Categories:Miscellaneous;Trifluoromethyl-benzene series;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Aromatic Halides (substituted);API intermediates;Trifluoromethylbenzene serise
Mol File:349-03-1.mol
4-Bromo-3-nitrobenzotrifluoride Structure
4-Bromo-3-nitrobenzotrifluoride Chemical Properties
Boiling point 90 °C (3 mmHg)
density 1.763 g/mL at 25 °C (lit.)
refractive index n20/D 1.511(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
form clear liquid
Specific Gravity1.763
color Light yellow to Amber to Dark green
BRN 2417762
InChI1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKeyPESPBNYBZVIGRO-UHFFFAOYSA-N
SMILES[O-][N+](=O)c1cc(ccc1Br)C(F)(F)F
CAS DataBase Reference349-03-1(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/37/38-20/21/22-36/38
Safety Statements 36/37/39-26-37/39-36/37
WGK Germany 3
HazardClass IRRITANT
HS Code 29049090
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
4-Bromo-3-nitrobenzotrifluoride Usage And Synthesis
Chemical Propertiesclear yellow liquid
Uses4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.
General Description4-Bromo-3-nitrobenzotrifluoride is an organic building block.
Synthesis
4-Chloro-3-nitrobenzotrifluoride

121-17-5

4-Bromo-3-nitrobenzotrifluoride

349-03-1

Example 10: Synthesis of 4-bromo-3-nitrobenzotrifluoride from 4-chloro-3-nitrobenzotrifluoride (g); [0086] 4-chloro-3-nitrobenzotrifluoride (1 eq.) was synthesized from 4-chloro-3-nitrobenzotrifluoride (1 eq.) with a source of bromide (cuprous bromide, cupric bromide, lithium bromide, or magnesium bromide, 1 eq.) or a mixture of cuprous bromide (1 eq.) with lithium bromide (1 eq.) under the presence of benzyl cyanide, diethylene glycol dimethyl ether ( diethylene glycol dimethyl ether), acetic acid or N-methylpyrrolidone (1 mL/mmol) as solvent, and heated the reaction at 160 °C for 6 h to obtain the target product 4-bromo-3-nitrobenzotrifluoride. Table 11 shows that good selectivity was obtained using different reaction conditions, with the mixture of cuprous bromide and lithium bromide being particularly effective. Comparative experiments showed that the reaction was less effective under solvent-free conditions.

References[1] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 12
[2] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-11
[3] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-12
Tag:4-Bromo-3-nitrobenzotrifluoride(349-03-1) Related Product Information
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