3-Chloro-4-fluorobenzoyl chloride

Base Information

• Chemical Name: 3-Chloro-4-fluorobenzoyl chloride
• CAS No.: 65055-17-6
• Molecular Formula: C7H3 Cl2 F O
• Molecular Weight: 193.005
• Hs Code.: 29162090
• European Community (EC) Number: 642-814-4
• UNII: RT32VVA3XP
• DSSTox Substance ID: DTXSID7049344
• Wikidata: Q72450639
• ChEMBL ID: CHEMBL3187775
• Mol file: 65055-17-6.mol

Synonyms:3-Chloro-4-fluorobenzoyl chloride;65055-17-6;Benzoyl chloride, 3-chloro-4-fluoro-;3-chloro-4-fluorobenzoylchloride;4-fluoro-3-chlorobenzoyl chloride;RT32VVA3XP;DTXSID7049344;3-Chloro-4-fluoro benzoyl chloride;UNII-RT32VVA3XP;SCHEMBL193605;CHEMBL3187775;DTXCID4029301;CHEMBL-3187775;DLZUHSFUBZTBQZ-UHFFFAOYSA-N;4-fluoro-3-chloro benzoyl chloride;Tox21_202979;MFCD00236215;AKOS006230401;JS-4105;NCGC00260525-01;3-Chloro-4-fluorobenzoyl chloride, 97%;CAS-65055-17-6;C2122;FT-0615389;3-Chloro-4-fluorobenzoyl chloride, AldrichCPR;A834956

Chemical Property of 3-Chloro-4-fluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: low-melting solid
• Vapor Pressure: 0.142mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.551
• Boiling Point: 216.2 °C at 760 mmHg
• Flash Point: 84.5 °C
• PSA: 17.07000
• Density: 1.462 g/cm³
• LogP: 2.85810
• Sensitive.: Moisture Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.9544983
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-4-fluorobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi
• Hazard Codes: C,Xi,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)F
• Uses: 3-Chloro-4-fluorobenzoyl chloride is a useful reactant, and has been used in the synthesis of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.

Technology Process of 3-Chloro-4-fluorobenzoyl chloride

There total 3 articles about 3-Chloro-4-fluorobenzoyl 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: 99.5%

3-chloro-4-fluorobenzoic acid (403-16-7) → 3-chloro-4-fluorobenzoyl chloride (65055-17-6)

Guidance literature:

With thionyl chloride; for 5h; Reflux;

DOI:10.3390/cancers13184563

Reference yield: 83.4%

4-fluorobenzoyl chloride (403-43-0) → 3-chloro-4-fluorobenzoyl chloride (65055-17-6)

Guidance literature:

With FeCl₃;

Reference yield: 83.4%

FeCl3are + 4-fluorobenzoyl chloride (403-43-0) → 3-chloro-4-fluorobenzoyl chloride (65055-17-6)

Guidance literature:

upstream raw materials:

3-chloro-4-fluorobenzoic acid

4-fluorobenzoyl chloride

Downstream raw materials:

2-(3-Chloro-4-fluoro-benzoylamino)-4-methylsulfanyl-butyric acid

[1-(3-Chloro-4-fluoro-benzoyl)-piperidin-4-yl]-acetic acid ethyl ester

2-[(3-chloro-4-fluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid

methyl 3-chloro-4-fluorobenzoate

Refernces

• 1、 Abdullaha, Mohd,Bharate, Sandip B.,Nuthakki, Vijay K.. "Discovery of methoxy-naphthyl linked N-(1-benzylpiperidine) benzamide as a blood-brain permeable dual inhibitor of acetylcholinesterase and butyrylcholinesterase". . . Retrieved 2020/09/18.
• 2、 Guo, Jing,Zhao, Fan,Yin, Wenbo,Zhu, Mingyue,Hao, Chenzhou,Pang, Yu,Wu, Tianxiao,Wang, Jian,Zhao, Dongmei,Li, Haitao,Cheng, Maosheng. "Design, synthesis, structure-activity relationships study and X-ray crystallography of 3-substituted-indolin-2-one-5-carboxamide derivatives as PAK4 inhibitors". . p. 197 - 209. Retrieved 2018/06/12.