2-Chloro-3-(trifluoromethyl)benzyl bromide

Base Information

• Chemical Name: 2-Chloro-3-(trifluoromethyl)benzyl bromide
• CAS No.: 261763-22-8
• Molecular Formula: C₈H₅BrClF₃
• Molecular Weight: 273.48
• Hs Code.: 2903999090
• European Community (EC) Number: 670-761-7
• DSSTox Substance ID: DTXSID50381159
• Wikidata: Q82171818
• Mol file: 261763-22-8.mol

Synonyms:261763-22-8;2-Chloro-3-(trifluoromethyl)benzyl bromide;1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene;2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLBROMIDE;Benzene, 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)-;SCHEMBL488470;DTXSID50381159;MFCD01631539;AKOS015850235;JS-4147;s10884;2-chloro-3-(trifluromethyl)benzyl bromide;EN300-7385749;1-(bromomethyl)-2-chloro-3-(trifluoromethyl)-benzene;1-(bromomethyl)-2-chloro-3-(trifluoromethyl)b enzene

Chemical Property of 2-Chloro-3-(trifluoromethyl)benzyl bromide

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 225.179°C at 760 mmHg
• Flash Point: 89.985°C
• PSA: 0.00000
• Density: 1.664g/cm³
• LogP: 4.25370
• Storage Temp.: 2-8°C
• Sensitive.: Lachrymatory
• Water Solubility.: Insoluble in water.
• 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:

99% ^*data from raw suppliers

2-Chloro-3-(trifluoromethyl)benzylbromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)Cl)CBr
• Uses: 3-(Trifluoromethyl)benzyl chloride was used in the synthesis of 4-nitro-3-trifluoromethyl-[N-(4-hydroxyphenyl)]benzamide.

Technology Process of 2-Chloro-3-(trifluoromethyl)benzyl bromide

There total 2 articles about 2-Chloro-3-(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:

2-chloro-3-trifluoromethylbenzaldehyde (93118-03-7) → 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene (261763-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium borohydrid; sodium hydrogencarbonate

2: phosphorus tribromide; sodium hydrogencarbonate / 1,4-dioxane; n-heptane; ethyl acetate

With phosphorus tribromide; sodium borohydrid; sodium hydrogencarbonate; In 1,4-dioxane; n-heptane; ethyl acetate;

Reference yield:

sodium hydrogen sulfate (7681-38-1) + (2-chloro-3-(trifluoromethyl)phenyl)methanol → 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene (261763-22-8)

Guidance literature:

With phosphorus tribromide; sodium hydrogencarbonate; In 1,4-dioxane; n-heptane; ethyl acetate;

Reference yield: 82.0%

1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene (261763-22-8) + 3-bromo-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one → 3-bromo-7-(2-chloro-3-(trifluoromethyl)benzyl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Inert atmosphere;

upstream raw materials:

sodium hydrogen sulfate

2-chloro-3-trifluoromethylbenzaldehyde

Refernces