2-FLUOROBENZAL CHLORIDE

Base Information

• Chemical Name: 2-FLUOROBENZAL CHLORIDE
• CAS No.: 320-65-0
• Molecular Formula: C7H5Cl2F
• Molecular Weight: 179.021
• Hs Code.: 29036990
• European Community (EC) Number: 206-279-7
• NSC Number: 60714
• DSSTox Substance ID: DTXSID2059805
• Nikkaji Number: J193.735I
• Wikidata: Q72479074
• Mol file: 320-65-0.mol

Synonyms:Toluene, a,a-dichloro-o-fluoro- (7CI,8CI);1-Dichloromethyl-2-fluorobenzene;NSC 60714;o-Fluorobenzal chloride;Benzene, 1-(dichloromethyl)-2-fluoro-;1-(Dichloromethyl)-2-fluorobenzene;Toluene, α,α-dichloro-o-fluoro-;

Chemical Property of 2-FLUOROBENZAL CHLORIDE

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Refractive Index: 1.526-1.528
• Boiling Point: 197.7 °C at 760 mmHg
• Flash Point: 79.2 °C
• PSA: 0.00000
• Density: 1.341 g/cm³
• LogP: 3.30190
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• 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: 106

Purity/Quality:

99.5% ^*data from raw suppliers

2-Fluorobenzal chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• 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(=C1)C(Cl)Cl)F
• Uses: 2-Fluorobenzal Chloride is an important reagent in the synthesis of Benzenesulfonyl fluoride derivatives.

Technology Process of 2-FLUOROBENZAL CHLORIDE

There total 3 articles about 2-FLUOROBENZAL 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: 85.0%

2-Fluorobenzaldehyde (446-52-6) → ortho-fluoro-benzal chloride (320-65-0)

Guidance literature:

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

DOI:10.1080/00397919908085922

Reference yield:

2-Fluorotoluene (95-52-3) → ortho-fluoro-benzal chloride (320-65-0)

Guidance literature:

With phosphorus pentachloride; at 188 ℃; Einleiten von Chlor im Sonnenlicht;

Reference yield:

→ ortho-fluoro-benzal chloride (320-65-0)

Guidance literature:

o-Fluortoluol, SO2Cl2, PCl3, Photork.;

upstream raw materials:

2-Fluorotoluene

2-Fluorobenzaldehyde

Downstream raw materials:

2-(dimethylamino)benzaldehyde

2-Fluorobenzaldehyde

Refernces