3-(Dichloromethyl)benzoyl chloride

Base Information

• Chemical Name: 3-(Dichloromethyl)benzoyl chloride
• CAS No.: 36747-51-0
• Molecular Formula: C8H5Cl3O
• Molecular Weight: 223.486
• Hs Code.: 29163900
• European Community (EC) Number: 620-632-6
• UNII: IO91DH852P
• DSSTox Substance ID: DTXSID90369850
• Wikidata: Q27894339
• Mol file: 36747-51-0.mol

Synonyms:3-(Dichloromethyl)benzoyl chloride;36747-51-0;IO91DH852P;Benzoyl chloride, 3-(dichloromethyl)-;3-dichloromethylbenzoyl chloride;UNII-IO91DH852P;SCHEMBL73694;3-Dichloromethyl-benzoyl chloride;DTXSID90369850;RXYDVDHUAVNAND-UHFFFAOYSA-N;(3-dichloromethyl)benzoyl chloride;MFCD00075604;AKOS015889327;alpha,alpha-Dichloro-m-toluoyl chloride;3-(DICHLOROMETHYL)BENZOYLCHLORIDE;FT-0717114;.ALPHA.,.ALPHA.-DICHLORO-M-TOLUOYL CHLORIDE;Q27894339

Chemical Property of 3-(Dichloromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: white crystalline chunks
• Vapor Pressure: 0.00204mmHg at 25°C
• Melting Point: 58-60 °C
• Refractive Index: 1.57
• Boiling Point: 290.7 °C at 760 mmHg
• Flash Point: 121.4 °C
• PSA: 17.07000
• Density: 1.435 g/cm³
• LogP: 3.54180
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 221.940598
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Dichloromethyl)benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)Cl)C(Cl)Cl

Technology Process of 3-(Dichloromethyl)benzoyl chloride

There total 3 articles about 3-(Dichloromethyl)benzoyl 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:

3-Methylbenzoyl chloride (1711-06-4) → 3-(Chloromethyl)benzoyl chloride (63024-77-1) + 3-(dichloromethyl)benzoyl chloride (36747-51-0)

Guidance literature:

With chlorine; at 162 - 164 ℃; for 3.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/jhet.5570230151

Reference yield:

3-Methylbenzoyl chloride (1711-06-4) → 3-(dichloromethyl)benzoyl chloride (36747-51-0)

Guidance literature:

beim Chlorieren;

Reference yield:

→ 3-(dichloromethyl)benzoyl chloride (36747-51-0)

Guidance literature:

entspr. Benzoylchlorid, Cl2, h*ν;

upstream raw materials:

3-Methylbenzoyl chloride

Downstream raw materials:

(3-(dichloromethyl)phenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone

5-(5-((4-chlorophenyl)(methyl)amino)picolinoyl)-2-(3-dichloromethylbenzoyl)benzoic methyl ester

m-formylphenyl benzoic acid

Refernces