2-Chloro-6-fluoro-3-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-6-fluoro-3-methylbenzoyl chloride
• CAS No.: 261762-81-6
• Molecular Formula: C₈H₅Cl₂FO
• Molecular Weight: 207.032
• Hs Code.: 2916399090
• European Community (EC) Number: 670-696-4
• DSSTox Substance ID: DTXSID70378627
• Wikidata: Q82168112
• Mol file: 261762-81-6.mol

Synonyms:2-Chloro-6-fluoro-3-methylbenzoyl chloride;261762-82-7;SCHEMBL1164327;DTXSID70378627;MFCD01631361;AKOS015850011;PS-10760;2-chloro-6-fluoro-3-methylbenzoylchloride;FT-0611847;2-chloranyl-6-fluoranyl-3-methyl-benzoyl chloride;A818267

Chemical Property of 2-Chloro-6-fluoro-3-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0262mmHg at 25°C
• Refractive Index: 1.5265
• Boiling Point: 247.1 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 17.07000
• Density: 1.396 g/cm³
• LogP: 3.16650
• Sensitive.: Moisture Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.9701483
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-2-fluoro-3-methylbenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl

Technology Process of 2-Chloro-6-fluoro-3-methylbenzoyl chloride

There total 1 articles about 2-Chloro-6-fluoro-3-methylbenzoyl 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:

2-chloro-6-fluoro-3-methylbenzoic acid (32890-89-4) → 2-chloro-6-fluoro-3-methylbenzoyl chloride (261762-81-6)

Guidance literature:

With thionyl chloride; In toluene; at 70 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b01630

Reference yield:

2-chloro-6-fluoro-3-methylbenzoyl chloride (261762-81-6) + 4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl) amide (902152-86-7) → C18H21ClFN5O4S

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield:

2-chloro-6-fluoro-3-methylbenzoyl chloride (261762-81-6) + 6-fluoro-3-nitroaniline (369-36-8) → C14H9ClF2N2O3

Guidance literature:

With pyridine; In dichloromethane; at 23 ℃; for 4h;

DOI:10.1021/acs.jmedchem.5b01630

upstream raw materials:

2-chloro-6-fluoro-3-methylbenzoic acid

Refernces