4-Bromo-3,5-dichlorobenzotrifluoride

Base Information

• Chemical Name: 4-Bromo-3,5-dichlorobenzotrifluoride
• CAS No.: 118754-53-3
• Molecular Formula: C7H2 Br Cl2 F3
• Molecular Weight: 293.898
• Hs Code.: 2903999090
• European Community (EC) Number: 623-239-8
• DSSTox Substance ID: DTXSID60361487
• Wikidata: Q72454111
• Mol file: 118754-53-3.mol

Synonyms:4-Bromo-3,5-dichlorobenzotrifluoride;118754-53-3;2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene;2-bromo-1,3-dichloro-5-trifluoromethyl-benzene;Benzene, 2-bromo-1,3-dichloro-5-(trifluoromethyl)-;MFCD00221020;SCHEMBL421763;DTXSID60361487;AKOS005254977;CS-W009986;AC-23838;AS-33173;SY026527;2,6-dichloro-4-trifluoromethylbromobenzene;4-Bromo-3,5-dichlorobenzotrifluoride, 97%;AM20080746;FT-0617805;1-Bromo-2,6-dichloro-4-trifluoromethylbenzene;A21522;EN300-303356;1-Bromo-2,6-dichloro-4- trifluoromethylbenzene

Chemical Property of 4-Bromo-3,5-dichlorobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0637mmHg at 25°C
• Refractive Index: n20/D 1.520
• Boiling Point: 238.9 ºC at 760 mmHg
• Flash Point: 98.3 ºC
• PSA: 0.00000
• Density: 1.833 g/mL at 25 ºC
• LogP: 4.77470
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 291.86690
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

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

4-Bromo-3,5-dichlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F

Technology Process of 4-Bromo-3,5-dichlorobenzotrifluoride

There total 3 articles about 4-Bromo-3,5-dichlorobenzotrifluoride 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: 85.0%

2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8) → 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene (118754-53-3)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 65 ℃; Inert atmosphere;

DOI:10.1055/s-0034-1378737

Reference yield: 80.5%

→ 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene (118754-53-3)

Guidance literature:

Reference yield:

sulfuric acid (7664-93-9) + 2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8) → nitrosylsulfuric acid (7782-78-7) + 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene (118754-53-3)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; In acetic acid;

upstream raw materials:

sulfuric acid

2,6-dichloro-4-(trifluoromethyl)aniline

Downstream raw materials:

2,6-dichloro-4-(trifluoromethyl)benzaldehyde

2,6-dichloro-4-(trifluoromethyl)benzoic acid

5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylthio)-1H-pyrazole-3-carbonitrile

Refernces

• 1、 -. "Pyrazole derivatives and insecticidal compositions containing the derivative as active component". . . Retrieved 2008/06/13.