2,4-Dichlorobenzotrifluoride

Base Information

• Chemical Name: 2,4-Dichlorobenzotrifluoride
• CAS No.: 320-60-5
• Molecular Formula: C7H3Cl2F3
• Molecular Weight: 215.002
• Hs Code.: 29039990
• European Community (EC) Number: 206-278-1
• UNII: 18V6ZM0FJT
• DSSTox Substance ID: DTXSID0047959
• Nikkaji Number: J31.771C
• Wikidata: Q27252035
• ChEMBL ID: CHEMBL3185099
• Mol file: 320-60-5.mol

Synonyms:2,4-Dichlorobenzotrifluoride;320-60-5;2,4-Dichloro-1-(trifluoromethyl)benzene;Benzene, 2,4-dichloro-1-(trifluoromethyl)-;1,3-Dichloro-4-(trifluoromethyl)benzene;EINECS 206-278-1;2,4-Dichloro-alpha,alpha,alpha-trifluorotoluene;UNII-18V6ZM0FJT;2,4-dichloro-1-trifluoromethyl-benzene;18V6ZM0FJT;DTXSID0047959;2,4-dichloro-a,a,a-trifluorotoluene;EC 206-278-1;Toluene, 2,4-dichloro-alpha,alpha,alpha-trifluoro-;2,4-DICHLORO(TRIFLUOROMETHYL)BENZENE;MFCD00000582;2,4,Dichlorobenzotrifluoride;SCHEMBL107751;CHEMBL3185099;DTXCID0027935;AMY5185;2,4-Dichlorobenzotrifluoride, 98%;Tox21_200946;AKOS008996594;CS-W014266;NCGC00248882-01;NCGC00258499-01;AS-12576;CAS-320-60-5;LS-29824;D1316;FT-0610048;EN300-18670;W-106862;Q27252035;TOLUENE, 2,4-DICHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-;2,4-Dichlorobenzotrifluoride, TraceCERT(R), certified reference material, 19F-qNMR Standard

Chemical Property of 2,4-Dichlorobenzotrifluoride

Chemical Property:

• Appearance/Colour: colourless clear liquid
• Vapor Pressure: 0.525mmHg at 25°C
• Melting Point: -26 °C
• Refractive Index: n20/D 1.481(lit.)
• Boiling Point: 193.2 °C at 760 mmHg
• Flash Point: 78.1 °C
• PSA: 0.00000
• Density: 1.464 g/cm³
• LogP: 4.01220
• Storage Temp.: Store below +30°C.
• Water Solubility.: 8.67mg/L at 25℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.9563900
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

≥99% ^*data from raw suppliers

2,4-Dichlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(F)(F)F
• Uses: 2,4-Dichlorobenzotrifluoride (2,4-Dichloro-α,α,α-trifluorotoluene ) was one of the compounds present in Niagara River fish identified by gas-liquid chromatographic-mass spectrometry.

Technology Process of 2,4-Dichlorobenzotrifluoride

There total 3 articles about 2,4-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:

2,4-dichlorobenzotrichloride (13014-18-1) → 2,4-dichloro-benzotrifluoride (320-60-5)

Guidance literature:

With hydrogen fluoride; at 110 ℃; under 11251.1 - 12751.3 Torr; Pressure; Temperature;

Reference yield:

hydrogen fluoride (7664-39-3,12381-92-9,32057-09-3,74835-82-8) + 2,4-dichlorobenzotrichloride (13014-18-1) → 2,4-dichloro-benzotrifluoride (320-60-5)

Guidance literature:

at 140 - 150 ℃;

Reference yield:

→ 2,4-dichloro-benzotrifluoride (320-60-5)

Guidance literature:

2,4-Dichlorbenzotrichlorid,SbF3;

upstream raw materials:

hydrogen fluoride

2,4-dichlorobenzotrichloride

Downstream raw materials:

2,4-dichloro-1-[dichloro-(4-fluorophenyl)methyl]benzene

1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene

1,5-difluoro-2-nitro-4-trifluoromethylbenzene

2,4-dichloro-3-methyltrifluoromethylbenzene

Refernces

• 1、 -. "Efficient chlorination process of 2,4-dichlorobenzotrifluoride". Paragraph 0022-0029. . Retrieved 2019/12/02.