1-Chloro-2,3,4-trifluorobenzene

Base Information

• Chemical Name: 1-Chloro-2,3,4-trifluorobenzene
• CAS No.: 36556-42-0
• Molecular Formula: C6H2ClF3
• Molecular Weight: 166.53
• Hs Code.: 2903999090
• European Community (EC) Number: 670-518-5
• DSSTox Substance ID: DTXSID40190055
• Wikidata: Q72511056
• Mol file: 36556-42-0.mol

Synonyms:1-Chloro-2,3,4-trifluorobenzene;36556-42-0;2,3,4-trifluorochlorobenzene;Benzene, 1-chloro-2,3,4-trifluoro-;Benzene, chlorotrifluoro-;chlorotrifluorobenzene;Benzene,1-chloro-2,3,4-trifluoro-;SCHEMBL1263943;DTXSID40190055;QEIDAZALPGAFIS-UHFFFAOYSA-N;4-chloro-1,2,3-trifluorobenzene;MFCD00042222;AKOS006229973;AC-8200;CS-W010805;75181-94-1;AS-60485;FT-0639323;D94690;EN300-1693238;A823295

Chemical Property of 1-Chloro-2,3,4-trifluorobenzene

Chemical Property:

• Vapor Pressure: 9.41mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 135.8 °C at 760 mmHg
• Flash Point: 42.4 °C
• PSA: 0.00000
• Density: 1.46 g/cm³
• LogP: 2.75730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.9797122
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-2,3,4-trifluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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(=C1F)F)F)Cl

Technology Process of 1-Chloro-2,3,4-trifluorobenzene

There total 1 articles about 1-Chloro-2,3,4-trifluorobenzene 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:

→ 4-chloro-1,2,3-trifluorobenzene (36556-42-0)

Guidance literature:

1,2,3,4-Tetrachlorbenzol, KF;

DOI:10.1016/S0022-1139(00)82962-0

Reference yield: 79.0%

4-chloro-1,2,3-trifluorobenzene (36556-42-0) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane (881401-96-3)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 105 ℃; for 18h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.202004648

Reference yield:

4-chloro-1,2,3-trifluorobenzene (36556-42-0) → 2,3,4-trifluoroaniline (3862-73-5)

Guidance literature:

With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; ammonia; sodium t-butanolate; In 1,4-dioxane; at 100 ℃; for 18h; under 3750.38 Torr; Concentration; Pressure; Autoclave;

Downstream raw materials:

1,2,3-trifluorobenzene

4,4,5,5-tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane

2,3,4-trifluoroaniline

Refernces