2,4-Difluoro-3-methylbenzoyl chloride

Base Information

• Chemical Name: 2,4-Difluoro-3-methylbenzoyl chloride
• CAS No.: 112857-70-2
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.577
• Hs Code.: 2916399090
• European Community (EC) Number: 642-768-5
• DSSTox Substance ID: DTXSID30478298
• Wikidata: Q82311592
• Mol file: 112857-70-2.mol

Synonyms:2,4-Difluoro-3-methylbenzoyl chloride;112857-70-2;2,4-DIFLUORO-3-METHYLBENZOYLCHLORIDE;Benzoyl chloride, 2,4-difluoro-3-methyl-;SCHEMBL4622385;DTXSID30478298;BMMDDDOEASRDKX-UHFFFAOYSA-N;MFCD07777157;AKOS005257804;2,4-difluoro-3-methyl-benzoyl chloride;FT-0691424;A802675

Chemical Property of 2,4-Difluoro-3-methylbenzoyl chloride

Chemical Property:

• Melting Point: 35-38℃
• Boiling Point: 202.2 °C at 760 mmHg
• Flash Point: 76.1 °C
• PSA: 17.07000
• Density: 1.356 g/cm³
• LogP: 2.65220
• Sensitive.: Moisture Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.9996988
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Difluoro-3-methylbenzoyl chloride 98.0% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1F)C(=O)Cl)F

Technology Process of 2,4-Difluoro-3-methylbenzoyl chloride

There total 1 articles about 2,4-Difluoro-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:

2,4-difluoro-3-methylbenzoic acid (112857-68-8) → 2,4-difluoro-3-methyl-benzoyl chloride (112857-70-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; for 70.0833h; Heating / reflux;

Reference yield:

2,4-difluoro-3-methyl-benzoyl chloride (112857-70-2) → (2,4-difluoro-3-methyl-phenyl)-methanol

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; ice-water; N,N-dimethyl-formamide; at 20 ℃; for 18h;

Reference yield:

2,4-difluoro-3-methyl-benzoyl chloride (112857-70-2) + 6-fluoro-3-nitroaniline (369-36-8) → C14H9F3N2O3

Guidance literature:

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

DOI:10.1021/acs.jmedchem.5b01630

upstream raw materials:

2,4-difluoro-3-methylbenzoic acid

Refernces