1-(Dichloromethyl)-3-fluorobenzene

Base Information

• Chemical Name: 1-(Dichloromethyl)-3-fluorobenzene
• CAS No.: 402-64-2
• Molecular Formula: C7H5 Cl2 F
• Molecular Weight: 179.021
• Hs Code.: 2903999090
• European Community (EC) Number: 206-952-5
• NSC Number: 60715
• DSSTox Substance ID: DTXSID10193199
• Nikkaji Number: J213.656B
• Wikidata: Q83065907
• Mol file: 402-64-2.mol

Synonyms:1-(Dichloromethyl)-3-fluorobenzene;3-Fluorobenzal chloride;402-64-2;EINECS 206-952-5;NSC60715;m-Fluorobenzalchloride;3-Fluorobenzal chlorid;SCHEMBL3712912;3-Fluoro-1-dichloromethylbenzene;DTXSID10193199;Toluene,.alpha.-dichloro-m-fluoro-;alpha,alpha-Dichloro-3-fluorotoluene;MFCD00037112;NSC 60715;NSC-60715;AKOS006230764;Benzene, 1-(dichloromethyl)-3-fluoro-;AS-62038;FT-0622087;A825021

Chemical Property of 1-(Dichloromethyl)-3-fluorobenzene

Chemical Property:

• Refractive Index: 1.5275
• Boiling Point: 200.7°Cat760mmHg
• Flash Point: 80.9°C
• PSA: 0.00000
• Density: 1.341g/cm³
• LogP: 3.30190
• Sensitive.: Lachrymatory
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.9752337
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

3-FluorobenzalChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Dichloromethyl)-3-fluorobenzene

There total 9 articles about 1-(Dichloromethyl)-3-fluorobenzene 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: 85.0%

3-Fluorobenzaldehyde (456-48-4) → 1-dichloromethyl-3-fluoro-benzene (402-64-2)

Guidance literature:

With tetrachloromethane; nickel; copper; In N,N-dimethyl-formamide; at 60 ℃; for 5h;

DOI:10.1080/00397919908085922

Reference yield: 72.0%

3-fluoro-1-(trichloromethyl)benzene (401-77-4) → 1-dichloromethyl-3-fluoro-benzene (402-64-2)

Guidance literature:

With thiophenol; copper(I) bromide; at 120 ℃; for 10h;

DOI:10.1016/S0022-1139(00)83074-2

Reference yield:

m-Fluorotoluene (352-70-5) → 1-dichloromethyl-3-fluoro-benzene (402-64-2) + m-fluorobenzyl chloride (456-42-8)

Guidance literature:

Chlorierung;

DOI:10.1039/jr9490001089

upstream raw materials:

m-Fluorotoluene

m-fluorobenzyl chloride

3-fluoro-1-(trichloromethyl)benzene

3-Fluorobenzaldehyde

Downstream raw materials:

5-Fluor-2-nitrobenzaldehyd-diacetat

5-Fluor-2,ω-dinitro-styrol

1-<5-Fluor-2-nitrophenyl>-2-nitro-ethanol

5-fluoro-2-nitrobenzaldehyde

Refernces

• 1、 Khadem Moghaddam, Roqayeh,Aghapour, Ghasem. "One-pot, oxidative and selective conversion of benzylic silyl and tetrahydropyranyl ethers to gem-dichlorides using trichloroisocyanuric acid and triphenylphosphine as an efficient and neutral system". . p. 398 - 406. Retrieved 2020/11/19.
• 2、 Léonel, Eric,Paugam, Jean-Paul,Heintz, Monique,Nédélec, Jean-Yves. "A simple and efficient procedure for the preparation of benzal chlorides and benzal bromides". . p. 4015 - 4024. Retrieved 2007/10/03.