1-(Dichloromethyl)-4-fluorobenzene

Base Information

• Chemical Name: 1-(Dichloromethyl)-4-fluorobenzene
• CAS No.: 456-19-9
• Molecular Formula: C7H5Cl2F
• Molecular Weight: 179.021
• Hs Code.: 2903999090
• European Community (EC) Number: 207-258-5
• NSC Number: 60716
• DSSTox Substance ID: DTXSID50196563
• Nikkaji Number: J196.164K
• Wikidata: Q83069592
• Mol file: 456-19-9.mol

Synonyms:4-Fluorobenzal chloride;456-19-9;1-(Dichloromethyl)-4-fluorobenzene;4-Fluorobenzalchloride;1-Dichloromethyl-4-fluorobenzene;Benzene, 1-(dichloromethyl)-4-fluoro-;EINECS 207-258-5;MFCD00000832;NSC60716;p-Fluorobenzalchloride;4-Fluorobenzal chloride???;SCHEMBL6903910;MFIOEEWGBMJNGG-UHFFFAOYSA-;DTXSID50196563;2-BROMO-6-BENZOTHIAZOLAMINE;NSC 60716;NSC-60716;1-(Dichloromethyl)-4-fluorobenzene #;AKOS022172860;BS-44048;SY036853;F0315;FT-0622088;A872352;W-106122

Chemical Property of 1-(Dichloromethyl)-4-fluorobenzene

Chemical Property:

• Appearance/Colour: CLEAR LIGHT YELLOW TO GREEN LIQUID
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 203.6 °C at 760 mmHg
• Flash Point: 82.6 °C
• PSA: 0.00000
• Density: 1.341 g/cm3
• LogP: 3.30190
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.9752337
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorobenzal Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34-36/37
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(Cl)Cl)F

Technology Process of 1-(Dichloromethyl)-4-fluorobenzene

There total 8 articles about 1-(Dichloromethyl)-4-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: 95.0%

4-fluorobenzaldehyde (459-57-4) → 4-fluorobenzal chloride (456-19-9)

Guidance literature:

With N-formyldiethylamine; Vilsmeier reagent; benzoyl chloride; at 20 ℃; for 3.5h; Temperature; Reagent/catalyst;

Reference yield: 78.0%

4-fluoro-1-trichloromethylbenzene (402-42-6) → 4-fluorobenzal chloride (456-19-9)

Guidance literature:

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

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

Reference yield:

(±)-2-[(4-fluorobenzyl)oxy]tetrahydropyran (18539-44-1) → 4-fluorobenzal chloride (456-19-9)

Guidance literature:

(±)-2-[(4-fluorobenzyl)oxy]tetrahydropyran; With trichloroisocyanuric acid; In acetonitrile; Reflux;

With triphenylphosphine; In acetonitrile; Reflux;

DOI:10.1080/10426507.2020.1845680

upstream raw materials:

1-chloromethyl-4-fluorobenzene

p-fluorotoluene

4-fluoro-1-trichloromethylbenzene

4-fluorobenzaldehyde

Downstream raw materials:

4-fluorobenzaldehyde

-bis-trimethylsilyl-methan

1-(dibromomethyl)-4-fluorobenzene

4-fluoro-α,α-difluorotoluene

Refernces

• 1、 Huy, Peter Helmut. "Formamide Catalysis Facilitates the Transformation of Aldehydes into Geminal Dichlorides". supporting information. p. 2474 - 2483. Retrieved 2019/06/08.
• 2、 -. "Method of manufacturing imidoyl diazidosulfochloride compd. various compd. and manufacturing method of using the same". Paragraph 0048. . Retrieved 2016/12/16.