2-(Chloromethyl)benzoyl chloride

Base Information

• Chemical Name: 2-(Chloromethyl)benzoyl chloride
• CAS No.: 42908-86-1
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 2916399090
• European Community (EC) Number: 255-998-2
• DSSTox Substance ID: DTXSID10195557
• Nikkaji Number: J267.320G
• Wikidata: Q72453790
• Mol file: 42908-86-1.mol

Synonyms:2-(Chloromethyl)benzoyl chloride;42908-86-1;BENZOYL CHLORIDE, 2-(CHLOROMETHYL)-;2-Chloromethylbenzoyl chloride;O-(CHLOROMETHYL)BENZOYL CHLORIDE;2-chloromethyl-benzoyl chloride;O-(Chloromethyl)BenzoylChloride;chloromethylbenzoyl chloride;EINECS 255-998-2;o-Chloromethyl-Benzoyl Chloride;2-(chloromethyl)-benzoyl chloride;chloromethyl-benzoylchloride;MONO-DODECYLITACONATE;SCHEMBL152624;o-chloromethyl benzoyl chloride;2-(Chloromethyl)benzoylchloride;DTXSID10195557;TXZFBHYDQGYOIT-UHFFFAOYSA-N;MFCD00152348;o-(chloromethyl)benzoic acid chloride;AKOS006273601;AS-5973;s11988;A6961;BB 0259290;C3152;FT-0682401;2-(Chloromethyl)benzoyl chloride, >=96.0% (GC);W-106254

Chemical Property of 2-(Chloromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: COA
• Melting Point: 17°C(lit.)
• Refractive Index: 1.5760 to 1.5800
• Boiling Point: 282.8 °C at 760 mmHg
• Flash Point: 113.9 °C
• PSA: 17.07000
• Density: 1.317 g/cm³
• LogP: 2.80440
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

2-(Chloromethyl)benzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 22-23-34-40
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Chloromethyl)benzoyl chloride

There total 9 articles about 2-(Chloromethyl)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: 95.0%

2-benzofuran-1(3H)-one (87-41-2) + BF3Et2O → 2-Chloromethylbenzoyl chloride (42908-86-1)

Guidance literature:

With thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride;

Reference yield: 91.0%

2-benzofuran-1(3H)-one (87-41-2) → 2-Chloromethylbenzoyl chloride (42908-86-1)

Guidance literature:

With thionyl chloride; boron trifluoride diethyl etherate; N-benzyl-N,N,N-triethylammonium chloride; for 8h; Reflux;

Reference yield: 87.0%

ortho-toluoyl chloride (933-88-0) → 2-Chloromethylbenzoyl chloride (42908-86-1)

Guidance literature:

With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Reflux;

DOI:10.1007/s11172-018-2245-x

upstream raw materials:

2-benzofuran-1(3H)-one

Phthaloyl dichloride

ortho-toluoyl chloride

dichlorotriphenylphosphorane

Downstream raw materials:

2-chloro-1-(2-chloromethyl-phenyl)-ethanone

o-(chloromethyl)benzoic acid ethyl ester

4-phenyl-3-(2-pyrrolidin-1-yl-ethylimino)-3,4-dihydro-1H-benzo[e][1,3]thiazepin-5-one

4-phenyl-2-(2-pyrrolidin-1-yl-ethyl)-3-thioxo-2,3,4,5-tetrahydro-benzo[e][1,3]diazepin-1-one