2,6-Difluorobenzoyl chloride

Base Information

• Chemical Name: 2,6-Difluorobenzoyl chloride
• CAS No.: 18063-02-0
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• Hs Code.: 29163990
• European Community (EC) Number: 241-971-2
• DSSTox Substance ID: DTXSID90170988
• Nikkaji Number: J260.859F
• Wikidata: Q72462585
• Mol file: 18063-02-0.mol

Synonyms:2,6-Difluorobenzoyl chloride;18063-02-0;Benzoyl chloride, 2,6-difluoro-;2,6-difluorobenzoylchloride;EINECS 241-971-2;2,6-diflurobenzoyl chloride;2,6-diflourobenzoyl chloride;2,6-difluoro benzoylchloride;2.6-difluorobenzoyl chloride;2,6-difluro-benzoyl chloride;SCHEMBL105255;2,6-difluoro benzoyl chloride;2,6-difluoro-benzoyl chloride;1H-1,2,4-Triazole 97%;DTXSID90170988;2,6-difluoro-phenylcarbonyl chloride;2,6-Difluorobenzoyl chloride, 99%;BBL027303;MFCD00000659;STK802618;AKOS000268644;AM61375;2,6-difluoro-1-benzenecarbonyl chloride;AC-26038;AS-38671;D2798;FT-0637641;A20286;EN300-1265909;W-107809;F2190-0068

Chemical Property of 2,6-Difluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 2.14mmHg at 25°C
• Melting Point: 128-132 °C(lit.)
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 186.5 °C at 760 mmHg
• Flash Point: 56.2 °C
• PSA: 17.07000
• Density: 1.42 g/cm³
• LogP: 2.34380
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: REACTS
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9840487
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34-10
• Safety Statements: 26-36/37/39-45-28A-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)Cl)F
• Uses: Preservative, bactericide, furoates for perfume and flavoring, fumigant, textile processing, chemical intermediate. 2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline

Technology Process of 2,6-Difluorobenzoyl chloride

There total 4 articles about 2,6-Difluorobenzoyl 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: 100.0%

2,6-difluorobenzoic acid (385-00-2) → 2,6-difluorobenzoylchloride (18063-02-0)

Guidance literature:

With thionyl chloride; Reflux;

Reference yield:

→ 2,6-difluorobenzoylchloride (18063-02-0)

Guidance literature:

Reference yield:

1,3-Difluorobenzene (372-18-9) → 2,6-difluorobenzoylchloride (18063-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) nBuLi, (ii) /BRN= 1900390/

2: SOCl₂

With thionyl chloride;

DOI:10.1021/jm00310a026

upstream raw materials:

2,6-difluorobenzoic acid

1,3-Difluorobenzene

2,6-difluorobenzamide

Downstream raw materials:

S-allyl N-(2,6-difluorobenzoyl)monothiocarbamate

2,6-difluoro-hippuric acid

N-(Bis-methylsulfanyl-methylene)-2,6-difluoro-benzamide

2,6-difluorobenzoyl isocyanate

Refernces

• 1、 Madikizela, Balungile,Eckhardt, Tamira,Goddard, Richard,Richter, Adrian,Lins, Anika,Lehmann, Christoph,Imming, Peter,Seidel, Rüdiger W.. "Synthesis, structural characterization and antimycobacterial evaluation of several halogenated non-nitro benzothiazinones". . p. 1523 - 1533. Retrieved 2021/06/14.
• 2、 -. "Preparation method and application of tetrahydrobenzothiophene compound and pharmaceutical composition". Paragraph 0133; 0136-0137; 0232; 0235-0236. . Retrieved 2021/10/16.