2-Chlorobenzoyl chloride

Base Information

• Chemical Name: 2-Chlorobenzoyl chloride
• CAS No.: 609-65-4
• Molecular Formula: C7H4Cl2O
• Molecular Weight: 175.014
• Hs Code.: 29163900
• European Community (EC) Number: 210-194-0
• NSC Number: 93897
• UNII: JR29A4N74X
• DSSTox Substance ID: DTXSID9060572
• Nikkaji Number: J28.751B
• Wikidata: Q27128560
• Metabolomics Workbench ID: 61242
• Mol file: 609-65-4.mol

Synonyms:Benzoylchloride, o-chloro- (6CI,7CI,8CI);NSC 93897;o-Chlorobenzoyl chloride;

Chemical Property of 2-Chlorobenzoyl chloride

Chemical Property:

• Appearance/Colour: clear colourless to very slightly yellow liquid
• Vapor Pressure: 0.0434mmHg at 25°C
• Melting Point: -4 °C
• Refractive Index: n20/D 1.572(lit.)
• Boiling Point: 238 °C at 760 mmHg
• Flash Point: 91.2 °C
• PSA: 17.07000
• Density: 1.369 g/cm³
• LogP: 2.71900
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Soluble in acetone, ether, and alcohol. Solubility in water it decomposes.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9639201
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% , ^*data from raw suppliers

2-Chlorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)Cl)Cl
• Uses: 2-Chlorobenzoyl chloride, is used in organic synthesis. It is used as a pharmaceutical intermediate for eg as an intermediate of clotrimazolc, preparation of p-chlorobenzoic acid and production of trichloro-acaricide.

Technology Process of 2-Chlorobenzoyl chloride

There total 18 articles about 2-Chlorobenzoyl 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%

ortho-chlorobenzoic acid (118-91-2) → o-chlorobenzoyl chloride (609-65-4)

Guidance literature:

With thionyl chloride; In toluene; at 75 ℃;

Reference yield: 93.0%

carbon monoxide (201230-82-2) + 2-iodochlorobenzene (615-41-8) → o-chlorobenzoyl chloride (609-65-4)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; benzyltriphenylphosphonium chloride; In toluene; at 110 ℃; for 24h; under 38002.6 Torr; Glovebox; Autoclave; Inert atmosphere;

DOI:10.1021/ja4098093

Reference yield: 92.0%

1-benzyl-4-amino-1H-imidazole-5-carboxamide (115377-62-3) → 4-(2-chlorobenzoylamino)-1-benzyl-5-imidazolecarboxamide (219935-35-0) + o-chlorobenzoyl chloride (609-65-4)

Guidance literature:

upstream raw materials:

2-chloro-benzaldehyde

benzoyl chloride

ortho-chlorobenzoic acid

2-chlorobenzoylhydrazide

Downstream raw materials:

1-(2-chlorophenyl)-2-diazoethan-1-one

2-chlorophenacyl bromide

2-chlorobenzoic anhydride

(2-chloro-phenyl)-(5-chloro-[2]thienyl)-ketone

Refernces

• 1、 Khan, Syed Ishtiaq,Ahmad, Sajjad,Khan, Inayat Ali,Badshah, Amin,Rauf, Muhammad Khawar,Putejo, Jahangir Ali,Siddiq, Muhammad Nasir,Kausar, Samia,Altaf, Ataf Ali. "Mononuclear copper(i) complexes of triphenylphosphine and: N, N ′-disubstituted thioureas as potential DNA binding chemotherapeutics". . p. 8925 - 8935. Retrieved 2021/06/01.
• 2、 -. "Amide compound and application thereof as TGR5 agonist". Paragraph 0192-0194; 0255-0257. . Retrieved 2017/04/20.