5-Chloro-2-(trifluoromethyl)benzyl bromide

Base Information

• Chemical Name: 5-Chloro-2-(trifluoromethyl)benzyl bromide
• CAS No.: 261763-24-0
• Molecular Formula: C8H5 Br Cl F3
• Molecular Weight: 273.48
• Hs Code.: 2903999090
• European Community (EC) Number: 670-763-8
• DSSTox Substance ID: DTXSID30380781
• Wikidata: Q72460267
• Mol file: 261763-24-0.mol

Synonyms:5-Chloro-2-(trifluoromethyl)benzyl bromide;261763-24-0;2-(bromomethyl)-4-chloro-1-(trifluoromethyl)benzene;Benzene, 2-(bromomethyl)-4-chloro-1-(trifluoromethyl)-;5-chloro-2-(trifluoromethyl)benzylbromide;5-chloro-2-trifluoromethylbenzyl bromide;SCHEMBL1125472;DTXSID30380781;MFCD01631356;AKOS005255503;JS-4171;CS-0063928;FT-0620224;FT-0652681;A22690;5-Chloro-2-(trifluoromethyl)benzyl bromide, AldrichCPR;alpha-Bromo-2-(trifluoromethyl)-5-chlorotoluene;a-bromo-2-(trifluoromethyl)-5-chlorotoluene

Chemical Property of 5-Chloro-2-(trifluoromethyl)benzyl bromide

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 274°Cat760mmHg
• Flash Point: 119.5°C
• PSA: 0.00000
• Density: 1.359g/cm³
• LogP: 4.25370
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.92152
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Chloro-2-(trifluoromethyl)benzyl bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-36/37/38-52/53-36-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CBr)C(F)(F)F
• Uses: 5-Chloro-2(Trifluoromethyl)Benzyl Bromide is a useful research compound.

Technology Process of 5-Chloro-2-(trifluoromethyl)benzyl bromide

There total 1 articles about 5-Chloro-2-(trifluoromethyl)benzyl bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-chloro-2-methyl-1-(trifluoromethyl)benzene (13630-22-3) → 2-(bromomethyl)-4-chloro-1-(trifluoromethyl)benzene (261763-24-0)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; Heating;

DOI:10.1016/j.bmcl.2007.10.073

Reference yield: 99.5%

2-(bromomethyl)-4-chloro-1-(trifluoromethyl)benzene (261763-24-0) + triphenylphosphine (603-35-0) → (5-chloro-2-(trifluoromethyl)benzyl)triphenylphosphonium bromide

Guidance literature:

In toluene; at 110 ℃;

Reference yield: 92.0%

2-(bromomethyl)-4-chloro-1-(trifluoromethyl)benzene (261763-24-0) + (+/-)-methyl{2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate hydrochloride → (+/-)-cis-methyl{1-[5-chloro-2-(trifluoromethyl)benzyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 16h;

upstream raw materials:

4-chloro-2-methyl-1-(trifluoromethyl)benzene

Downstream raw materials:

C₁₉H₂₆ClF₃N₂O₂

1-(5-chloro-2-trifluoromethyl-benzyl)-7-iodo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

1-[[(4R)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-yl]carbonyl]-4-cyclopropyl-1,2,3,4-tetrahydroquinoxaline

Refernces