1-(2-Bromoethyl)-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene
• CAS No.: 130365-87-6
• Molecular Formula: C9H8 Br F3
• Molecular Weight: 253.062
• Hs Code.: 2903999090
• European Community (EC) Number: 626-135-0
• DSSTox Substance ID: DTXSID10565938
• Nikkaji Number: J3.529.562C
• Wikidata: Q82451293
• Mol file: 130365-87-6.mol

Synonyms:1-(2-Bromoethyl)-4-(trifluoromethyl)benzene;130365-87-6;4-(TRIFLUOROMETHYL)PHENETHYL BROMIDE;2-(4-trifluoromethylphenyl)ethyl bromide;Benzene, 1-(2-bromoethyl)-4-(trifluoromethyl)-;MFCD10567022;1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, 2-(4-Trifluoromethylphenyl)ethyl bromide;1-(2-bromoethyl)-4-trifluoromethylbenzene;4-(trifluoromethyl)phenethylbromide;SCHEMBL177739;4-trifluoromethylphenethyl bromide;DTXSID10565938;AKOS012020538;DS-7482;SY239996;2-(4-tri-fluoromethylphenyl)ethyl bromide;4-(Trifluoromethyl)phenethyl bromide, 97%;1-(2-Bromo-ethyl)-4-trifluoromethylbenzene;CS-0077606;1-(2-bromo-ethyl)-4-trifluoromethyl-benzene;EN300-696362;O10260;A888768;J-005799

Chemical Property of 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene

Chemical Property:

• Refractive Index: n20/D 1.487
• Boiling Point: 218.0±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.499 g/mL at 25 °C
• LogP: 3.64280
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.97615
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)phenethyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-36-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCBr)C(F)(F)F

Technology Process of 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene

There total 6 articles about 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene 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: 87.0%

1-trifluoromethyl-4-vinyl-benzene (402-50-6) → 2-[4-(trifluoromethyl)phenyl]ethyl bromide (130365-87-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); hydrogen bromide; In toluene; at 0 ℃; for 2h; Reagent/catalyst; Solvent;

DOI:10.1039/c6ob00692b

Reference yield: 74.0%

2-(4-trifluoromethylphenyl)ethanol (2968-93-6) → 2-[4-(trifluoromethyl)phenyl]ethyl bromide (130365-87-6)

Guidance literature:

With phosphorus tribromide; at 100 ℃; for 2h;

Reference yield: 32.0%

→ 1-(2-(4-trifluoromethylphenyl)ethyl)-4-(4-pentylcyclohexyl)cyclohexene + 2-[4-(trifluoromethyl)phenyl]ethyl bromide (130365-87-6)

Guidance literature:

upstream raw materials:

4-Trifluoromethylphenylacetic acid

2-(4-trifluoromethylphenyl)ethanol

4-Trifluoromethylbenzaldehyde

1-trifluoromethyl-4-vinyl-benzene

Downstream raw materials:

1-bromomethyl-3,5-difluoro-benzene

tert-butyl 2-oxo-4-(4-(trifluoromethyl)phenyl)butanoate

2-iodo-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-1H-imidazole

2-(4-trifluoromethylphenyl)ethanol