2-Chloro-1,3-bis(trifluoromethyl)benzene

Base Information

• Chemical Name: 2-Chloro-1,3-bis(trifluoromethyl)benzene
• CAS No.: 63430-02-4
• Molecular Formula: C8H3ClF6
• Molecular Weight: 248.555
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50555272
• Wikidata: Q82436576
• Mol file: 63430-02-4.mol

Synonyms:63430-02-4;2-Chloro-1,3-bis(trifluoromethyl)benzene;2,6-Bis(trifluoromethyl)chlorobenzene;2,6-Bis-(trifluoromethyl)chlorobenzene;MFCD04972675;SCHEMBL1043059;DTXSID50555272;QULONSINRUUAHY-UHFFFAOYSA-N;AKOS005255926;2-chloranyl-1,3-bis(trifluoromethyl)benzene;CS-0454422;A834375

Chemical Property of 2-Chloro-1,3-bis(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 3.58mmHg at 25°C
• Refractive Index: 1.403
• Boiling Point: 157.3°C at 760 mmHg
• Flash Point: 60.8°C
• PSA: 0.00000
• Density: 1.475g/cm³
• LogP: 4.37760
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 247.9827468
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

2,6-Bis-(trifluoromethyl)chlorobenzene 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-1,3-bis(trifluoromethyl)benzene

There total 2 articles about 2-Chloro-1,3-bis(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: 75.0%

→ 1-chloro-2,6-bis(trifluoromethyl)benzene (63430-02-4)

Guidance literature:

With trichloroisocyanuric acid; bromine; In tetrachloromethane; at -10 - 100 ℃; for 18h; Photolysis;

Reference yield:

2-chloro-1,3-bis-(trichloromethyl)-benzene (36747-57-6) → 1-chloro-2,6-bis(trifluoromethyl)benzene (63430-02-4)

Guidance literature:

With hydrogen fluoride; antimonypentachloride;

Reference yield: 45.0%

2-chloro-1,3-bis-(trichloromethyl)-benzene (36747-57-6) + 1-chloro-2,6-bis(trifluoromethyl)benzene (63430-02-4) → 1-trifluoromethyl-2-chloro-3-trichloromethyl-benzene (63430-03-5)

Guidance literature:

With hydrogenchloride; aluminium trichloride;

upstream raw materials:

2-chloro-1,3-bis-(trichloromethyl)-benzene

Downstream raw materials:

(2,6-bis-trifluoromethyl-phenyl)-methyl sulfide

2,6-bis-trifluoromethyl-anisole

5-bromo-2-chloro-1,3-bis-trifluoromethyl-benzene

2-chloro-5-nitro-1,3-bis(trifluoromethyl)benzene