3-Fluorobenzotrichloride

Base Information

• Chemical Name: 3-Fluorobenzotrichloride
• CAS No.: 401-77-4
• Molecular Formula: C7H4Cl3F
• Molecular Weight: 213.466
• Hs Code.: 2903999090
• European Community (EC) Number: 206-931-0
• DSSTox Substance ID: DTXSID50193138
• Nikkaji Number: J213.649J
• Wikidata: Q83065860
• Mol file: 401-77-4.mol

Synonyms:3-Fluorobenzotrichloride;401-77-4;1-fluoro-3-(trichloromethyl)benzene;EINECS 206-931-0;MFCD00042073;m-Fluoro-alpha,alpha,alpha-trichlorotoluene;5-fluorobenzotrichloride;3-Fluoro benzotrichloride;SCHEMBL7062766;DTXSID50193138;AKOS005254978;PS-10665;FT-0615721;A824959;W-109533

Chemical Property of 3-Fluorobenzotrichloride

Chemical Property:

• Vapor Pressure: 0.193mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 217.7 °C at 760 mmHg
• Flash Point: 95.3 °C
• PSA: 0.00000
• Density: 1.472 g/cm³
• LogP: 3.65240
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.936261
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorobenzotrichloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/22-36/37/38
• Safety Statements: 26-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluorobenzotrichloride

There total 3 articles about 3-Fluorobenzotrichloride 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: 66.0%

3-fluoro-trifluoromethylbenzene (401-80-9) → 3-fluoro-1-(trichloromethyl)benzene (401-77-4)

Guidance literature:

With iron(III) chloride; boron trichloride; In nitromethane; dichloromethane; at 30 ℃; for 16h;

DOI:10.1002/chem.202101324

Reference yield:

m-Fluorotoluene (352-70-5) → 3-fluoro-1-(trichloromethyl)benzene (401-77-4)

Guidance literature:

With chlorine; Irradiation;

DOI:10.1016/S0040-4020(01)92493-7 DOI:10.1016/S0022-328X(00)90597-7

Reference yield:

→ 3-fluoro-1-(trichloromethyl)benzene (401-77-4)

Guidance literature:

m-Fluortoluol, Photochlorierung;

DOI:10.1021/jo00884a018

upstream raw materials:

m-Fluorotoluene

3-fluoro-trifluoromethylbenzene

Downstream raw materials:

(m-Fluorphenyl)-tris(trimethylsilyl)methan

5-Fluor-2-nitro-benzotrichlorid; 3-Fluor-6-nitro-benzotrichlorid

N,N-diethyl-3-fluorobenzamide

m-FC₆H₄C(SCF₃)3

Refernces

• 1、 -. "Preparation process of fluorine substituted aromatic compound". . . Retrieved 2008/06/13.