2-Bromo-5-(trifluoromethyl)benzyl bromide

Base Information

• Chemical Name: 2-Bromo-5-(trifluoromethyl)benzyl bromide
• CAS No.: 875664-32-7
• Molecular Formula: C₁₁H₁₄Br₂
• Molecular Weight: 306.04
• Hs Code.: 2903999090
• European Community (EC) Number: 805-502-0,642-533-7
• Mol file: 875664-32-7.mol

Synonyms:2-Bromo-5-(trifluoromethyl)benzyl bromide;886496-63-5;1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene;875664-32-7;MFCD04973762;2-BROMO-5-TRIFLUOROMETHYL-BENZYLBROMIDE;1-Bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)-benzene;2-bromo-5-trifluoromethylbenzyl bromide;SCHEMBL475304;AMY6361;Benzene,1-bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)-;AKOS005258010;2-Bromo-5-(trifluoromethyl)benzylbromide;AS-35491;FT-0645017;FT-0746430;EN300-3102901;A842267;A915410

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

Chemical Property:

• Vapor Pressure: 0.0219mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 258.7 °C at 760 mmHg
• Flash Point: 110.2 °C
• PSA: 0.00000
• Density: 1.885 g/cm³
• LogP: 4.36280
• Sensitive.: Lachrymatory
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 317.86896
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)CBr)Br
• Uses: 2-Bromo-5-(trifluoromethyl)benzyl bromideis a reagent used in pharmaceutical research.

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

There total 2 articles about 2-Bromo-5-(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:

1-bromo-2-methyl-4-(t-butyl)benzene → C11H14Br2 (875664-32-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 22.5h; Reflux;

DOI:10.1021/jo501965y

Reference yield:

m-t-butyltoluene (1075-38-3) → C11H14Br2 (875664-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; bromine / 3 h / 95 - 100 °C

2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 22.5 h / Reflux

With N-Bromosuccinimide; bromine; iron; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jo501965y

Reference yield:

C11H14Br2 (875664-32-7) + C11H9F6NO2 (477263-27-7) → C22H22BrF6NO2 (1261181-18-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2010.10.019

upstream raw materials:

m-t-butyltoluene

Downstream raw materials:

C₂₂H₂₂BrF₆NO₂

C₃₃H₃₄F₇NO₃

Refernces