481075-58-5

Basic information

• Product Name: 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
• Synonyms: 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE;3-Bromo-4-iodobenzotrifluoride;2-Bromo-1-iodo-4-(trifluoromethyl)benzene, 3-Bromo-4-iodo-alpha,alpha,alpha-trifluorotoluene;3-bromo-4-iodo-trifluoromethylbenzene
• CAS NO: 481075-58-5
• Molecular Formula: C₇H₃BrF₃I
• Molecular Weight: 350.9023996
• Mol File: 481075-58-5.mol

Chemical Properties

• Melting Point: 36-38.5℃ (ethanol )
• Boiling Point: 236.9±40.0℃ (760 Torr)
• Flash Point: 97.1±27.3℃
• Appearance: /
• Density: 2.176±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0709mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE(481075-58-5)
• EPA Substance Registry System: 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE(481075-58-5)

Safety Data

• Hazardous Substances Data: 481075-58-5(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE is used as a building block for creating more complex organic molecules due to its unique structure and reactivity.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE is utilized as an intermediate for the production of various pharmaceuticals, leveraging its halogenated nature to facilitate reactions in drug development processes.
Used in Agrochemical Production:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE is employed as a key intermediate in the synthesis of agrochemicals, contributing to the development of new pesticides and other agricultural chemicals.
Used in Materials Science:
In the field of materials science, 2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE is used for the development of novel materials, taking advantage of its chemical properties to enhance material characteristics.
Used in Organic Reactions:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE is used in nucleophilic substitution and metal-catalyzed cross-coupling reactions, where its presence of halogen atoms allows for versatile synthetic applications in organic chemistry.

InChI:InChI=1/C7H3BrF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H

Upstream product

• 7681-11-0 potassium iodide 
• 57946-63-1 4-amino-3-bromobenzotrifluoride 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 

Downstream Products

• 947546-62-5 1-bromo-5-trifluoromethyl-2-(prop-1-ynyl)benzene 
• 947546-73-8 C₁₉H₁₂BrOF₃ 
• 1416800-17-3 4-(2-bromo-4-(trifluoromethyl)phenyl)butanal 
• 1454667-10-7 tert-butyl 5-(2-bromo-4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 
• 1454666-26-2 5-(2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide hydrochloride 
• 1454666-25-1 tert-butyl 4-(2-(2-(N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-1,2,3,4-tetrahydroisoquinolin-5-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate 
• 1454666-24-0 5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide 
• 1454667-86-7 5-(2-bromo-4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride 
• 1454666-76-2 5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide 
• 1454667-12-9 5-(2-bromo-4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride 
• 1454667-68-5 5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(5-fluorothiazol-2-yl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide 
• 1454666-59-1 N-(5-fluorothiazol-2-yl)-5-(2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide 

Relevant articles and documents

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It was possible to functionalize the three fluorobenzyl alcohols and the three 2-(fluorophenyl)ethanols by metalation and subsequent carboxylation, the prototype electrophilic trapping reaction. Triisopropylsilyl (TIPS) outperformed methoxymethyl (MOM) as an O-protective group making seven new fluorobenzoic acids accessible in 63% average yield. Moreover, the TIPS group tolerates weakly basic and acidic media and, therefore, may facilitate further structural elaboration. The unprotected alcohols reacted more sluggishly and were unable to provide two of the targeted products (acids 1 and 2). The yield averaged only 46% in the five other cases (acids 3-7). The direct metalation of fluorinated benzyl and phenethyl alcohols remains nevertheless an attractive option because of its operational simplicity. All three (trifluoromethyl)benzyl alcohols and two of the three (trifluoromethyl)phenethyl alcohol isomers were successfully submitted to the metalation/functionalization sequence. These five starting materials gave rise to a total of nine new benzoic acids or lactones (compounds 8-14 and 17-18). Despite the poor yields (31% on average), the organometallic methods employed are, in general, extremely selective, economical and easy to perform. Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

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