2-Bromo-5-chlorobenzotrifluoride

Base Information

• Chemical Name: 2-Bromo-5-chlorobenzotrifluoride
• CAS No.: 344-65-0
• Molecular Formula: C7H3BrClF3
• Molecular Weight: 259.453
• Hs Code.: 29039990
• European Community (EC) Number: 608-994-3
• DSSTox Substance ID: DTXSID10187972
• Wikidata: Q72452476
• Mol file: 344-65-0.mol

Synonyms:2-Bromo-5-chlorobenzotrifluoride;344-65-0;1-Bromo-4-chloro-2-(trifluoromethyl)benzene;Benzene, 1-bromo-4-chloro-2-(trifluoromethyl)-;2-BROMO-5-CHOROBENZOTRIFLUORIDE;MFCD00010308;1-Bromo-4-chloro-2-trifluoromethyl-benzene;2-Bromo-5-chloro-alpha,alpha,alpha-trifluorotoluene;Bromo-5-chlorobenzotrifluoride;SCHEMBL1410268;DTXSID10187972;AKOS005254779;AM61472;CS-W017778;2-Bromo-5-chlorobenzotrifluoride, 97%;DS-12675;SY023671;A6068;B3366;FT-0611476;2-Bromo-5-chloro-|A,|A,|A-trifluorotoluene;F20947;Benzene, 2-bromo-5-chloro-1-(trifluoromethyl)-;EN300-2007174;J-508346

Chemical Property of 2-Bromo-5-chlorobenzotrifluoride

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellow liquid
• Vapor Pressure: 0.779mmHg at 25°C
• Melting Point: 18-20 °C
• Refractive Index: n20/D 1.5080(lit.)
• Boiling Point: 189.7 °C at 760 mmHg
• Flash Point: 68.5 °C
• PSA: 0.00000
• Density: 1.717 g/cm³
• LogP: 4.12130
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 257.90587
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-chlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36-37-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Br
• Uses: 2-Bromo-5-chlorobenzotrifluoride was used in preparation of 6-[4-chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine and 4,4′-dichloro-2,2′-bis(trifluoromethyl) diphenyl sulphone.

Technology Process of 2-Bromo-5-chlorobenzotrifluoride

There total 4 articles about 2-Bromo-5-chlorobenzotrifluoride 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: 65.0%

4-bromo-3-(trifluoromethyl)aniline (393-36-2) → 1-bromo-4-chloro-2-(trifluoromethyl)benzene (344-65-0)

Guidance literature:

4-bromo-3-(trifluoromethyl)aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 1h;

With copper(l) chloride; In water; at 20 - 70 ℃;

Reference yield:

3-chlorotrifluoromethylbenzene (98-15-7) → 1-bromo-4-chloro-2-(trifluoromethyl)benzene (344-65-0)

Guidance literature:

With antimonypentachloride; bromine; anschliessend Behandeln mit Chlor;

DOI:10.1021/ja01160a063

Reference yield:

3-trifluoromethylaniline (98-16-8) → 1-bromo-4-chloro-2-(trifluoromethyl)benzene (344-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; bromine

2: aqueous hydrochloric acid; sodium nitrite / anschliessend Erwaermen mit Kupfer-Pulver

With hydrogenchloride; bromine; acetic acid; sodium nitrite;

DOI:10.1021/ja01108a519

upstream raw materials:

3-chlorotrifluoromethylbenzene

4-bromo-3-(trifluoromethyl)aniline

3-trifluoromethylaniline

N-acetyl-3-trifluoromethylbenzenamine

Downstream raw materials:

methyl-6-(4-chloro-2-(trifluoro methyl)phenyl)-2-methyl pyrimidine-4-carboxylate

({(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl}oxy)acetic acid

(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

4,4'-dichloro-2,2'-bis(trifluoromethyl)diphenyl sulphone

Refernces