3-(Chloromethyl)benzoyl chloride

Base Information

• Chemical Name: 3-(Chloromethyl)benzoyl chloride
• CAS No.: 63024-77-1
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 29163990
• European Community (EC) Number: 263-799-7
• UNII: SR5AXI8B1X
• DSSTox Substance ID: DTXSID00212308
• Nikkaji Number: J267.392D
• Wikidata: Q72453783
• Mol file: 63024-77-1.mol

Synonyms:3-(Chloromethyl)benzoyl chloride;63024-77-1;Benzoyl chloride, 3-(chloromethyl)-;3-Chloromethylbenzoyl chloride;3-Chloromethyl-benzoyl chloride;3-(Chloromethyl) benzoyl chloride;SR5AXI8B1X;EINECS 263-799-7;3-(Chloromethyl)-benzoyl chloride;UNII-SR5AXI8B1X;3-chlormethylbenzoylchloride;3-chloromethylbenzoylchloride;SCHEMBL39676;3-chloromethyl benzoylchloride;3-(chloromethy)benzoyl chloride;m-(chloromethyl)benzoyl chloride;DTXSID00212308;YCAIYRWHKSJKEB-UHFFFAOYSA-N;MFCD00000682;AKOS009157022;3-(Chloromethyl)benzoyl chloride, 98%;AS-12525;C2314;FT-0613738;EN300-39452;A834159;W-104939

Chemical Property of 3-(Chloromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0.00785mmHg at 25°C
• Melting Point: 4 °C
• Refractive Index: n20/D 1.5748(lit.)
• Boiling Point: 268.093 °C at 760 mmHg
• Flash Point: 109.968 °C
• PSA: 17.07000
• Density: 1.317 g/cm³
• LogP: 2.80440
• Sensitive.: Moisture Sensitive
• XLogP3: 3
• 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:

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)Cl)CCl
• Uses: 3-(Chloromethyl)benzoyl chloride is used to prepare water-soluble, solution-stable, bioactive prodrugs.1 3-(Chloromethyl)benzoyl chloride has been used in the preparation of:new amphiphilic star polymers possessing a hyperbranched core and hydrophilic graft armswater-soluble, solution-stable, bioactive prodrugs

Technology Process of 3-(Chloromethyl)benzoyl chloride

There total 8 articles about 3-(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: 99.9%

3-bromomethylbenzoic acid (6515-58-8) → 3-(Chloromethyl)benzoyl chloride (63024-77-1)

Guidance literature:

With thionyl chloride; at 50 ℃; Temperature; Concentration;

Reference yield:

3-chloromethylbenzoic acid (31719-77-4) → 3-(Chloromethyl)benzoyl chloride (63024-77-1)

Guidance literature:

With thionyl chloride; In toluene; at 85 - 90 ℃; for 15h;

DOI:10.1016/S0960-894X(02)00386-4

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Benzotrichlorid (98-07-7) → 3-(Chloromethyl)benzoyl chloride (63024-77-1)

Guidance literature:

With aluminum (III) chloride; In chloroform; at 50 - 55 ℃; for 18h; under 3000.3 Torr; Solvent; Reagent/catalyst; Pressure; Temperature; Inert atmosphere; Autoclave;

upstream raw materials:

3-Methylbenzoyl chloride

3-chloromethylbenzoic acid

m-Toluic acid

3-(Hydroxymethyl)benzoic acid

Downstream raw materials:

1-(3-chloromethyl-phenyl)-2-phenyl-ethanone

3-[(E)-2-(4-Chloro-phenyl)-ethenesulfonylmethyl]-benzoic acid ethyl ester

3-[(E)-2-(4-Bromo-phenyl)-ethenesulfonylmethyl]-benzoic acid methyl ester

3-((E)-2-p-Tolyl-ethenesulfonylmethyl)-benzoic acid ethyl ester

Refernces

• 1、 -. "GLUCOPYRANOSE DERIVATIVES USEFUL AS SGLT2 INHIBITORS". Page/Page column 59. . Retrieved 2020/06/10.
• 2、 -. "Ligustrazine derivative, and preparation method and applications thereof". Paragraph 0047; 0081; 0110; 0111; 0112. . Retrieved 2019/08/12.