3,4-Difluorobenzyl chloride

Base Information

• Chemical Name: 3,4-Difluorobenzyl chloride
• CAS No.: 698-80-6
• Molecular Formula: C7H5 Cl F2
• Molecular Weight: 162.567
• Hs Code.: 2903999090
• European Community (EC) Number: 671-872-3
• DSSTox Substance ID: DTXSID20371729
• Nikkaji Number: J1.212.496A
• Wikidata: Q72462687
• Mol file: 698-80-6.mol

Synonyms:3,4-Difluorobenzyl chloride;698-80-6;4-(chloromethyl)-1,2-difluorobenzene;3,4-Difluorobenzylchloride;BENZENE, 4-(CHLOROMETHYL)-1,2-DIFLUORO-;1-(chloromethyl)-3,4-difluorobenzene;3,4-Difluorobenzylchloride,98%;MFCD00236218;SCHEMBL1503157;DTXSID20371729;VTGRVYJPIVZZGS-UHFFFAOYSA-N;CK2035;STL166133;AKOS000262182;AM62164;AC-26187;AS-15731;A9241;D5117;FT-0614288;EN300-80293;A905906;J-511154

Chemical Property of 3,4-Difluorobenzyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless to faintly yellow liquid
• Vapor Pressure: 1.17mmHg at 25°C
• Melting Point: 52-53 °C
• Refractive Index: 1.49
• Boiling Point: 28 °C
• Flash Point: 27-29°C/0.4mm
• PSA: 0.00000
• Density: 1.294g/cm3
• LogP: 2.70360
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.0047842
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

3,4-Difluorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-20/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCl)F)F

Technology Process of 3,4-Difluorobenzyl chloride

There total 2 articles about 3,4-Difluorobenzyl chloride 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:

(3,4-difluorophenyl)methanol (85118-05-4) → 4-(chloromethyl)-1,2-difluorobenzene (698-80-6)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃;

DOI:10.1016/j.ejmech.2021.113965

Reference yield:

bis(2-chloromethyl)ether (542-88-1) + ortho-difluorobenzene (367-11-3) → 4-(chloromethyl)-1,2-difluorobenzene (698-80-6)

Guidance literature:

With sulfuric acid; acetic anhydride; acetic acid;

DOI:10.1021/jo01351a050

Reference yield: 99.0%

Thiram (137-26-8,93196-73-7) + 4-(chloromethyl)-1,2-difluorobenzene (698-80-6) → 3,4-difluorobenzyl dimethylcarbamodithioate

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201801449

upstream raw materials:

bis(2-chloromethyl)ether

ortho-difluorobenzene

(3,4-difluorophenyl)methanol

Downstream raw materials:

(3,4-difluorophenyl)acetonitrile

4-(3,4-difluoro-benzylsulfanyl)-pyridine-2-carbonitrile

1-(3,4-difluoro-benzyl)-piperidine-4-carboxylic acid amide

N²-butyl-9-(3,4-difluoro-benzyl)-9H-purine-2,6-diamine

Refernces