3,5-Dichlorobenzoyl chloride

Base Information

• Chemical Name: 3,5-Dichlorobenzoyl chloride
• CAS No.: 2905-62-6
• Molecular Formula: C7H3Cl3O
• Molecular Weight: 209.459
• Hs Code.: 29163900
• European Community (EC) Number: 220-813-6
• UNII: S09182623N
• DSSTox Substance ID: DTXSID1027506
• Nikkaji Number: J149.672G
• Wikidata: Q27288386
• ChEMBL ID: CHEMBL3184849
• Mol file: 2905-62-6.mol

Synonyms:3,5-Dichlorobenzoyl chloride;2905-62-6;Benzoyl chloride, 3,5-dichloro-;3,5-dichlorobenzoylchloride;EINECS 220-813-6;RH-24,299;DTXSID1027506;UNII-S09182623N;MFCD00009817;S09182623N;EC 220-813-6;SCHEMBL93282;3,5-dichloro-benzoyl chloride;DTXCID107506;CHEMBL3184849;AMY14529;Tox21_200629;3,5-Dichlorobenzoyl chloride, 96%;AKOS005256295;DICHLOROBENZOYLCHLORIDE(3,5-);3,5-dichloro-1-benzenecarbonyl chloride;NCGC00164131-01;NCGC00164131-02;NCGC00258183-01;3,5-DICHLOROBENZOIC ACID CHLORIDE;LS-42602;PS-10776;CAS-2905-62-6;J149.672G;D1404;FT-0614560;E76469;EN300-233772;A819744;W-107009;Q27288386;F2158-0705

Chemical Property of 3,5-Dichlorobenzoyl chloride

Chemical Property:

• Appearance/Colour: colorless to light yellow transparent liquid or crystal
• Vapor Pressure: 0.1 mm Hg ( 32 °C)
• Melting Point: 28 °C(lit.)
• Refractive Index: n20/D 1.582(lit.)
• Boiling Point: 249.142 °C at 760 mmHg
• Flash Point: 102.121 °C
• PSA: 17.07000
• Density: 1.499 g/cm³
• LogP: 3.37240
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Benzene,Toluene
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.924948
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichlorobenzoyl Chloride ^*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:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)Cl
• Uses: 3,5-Dichlorobenzoyl chloride is a useful intermediate for organic synthesis and other pharmaceutical processes. 3,5-Dichlorobenzoyl chloride has been used in the preparation of:N-(1,1-dimethylpropynyl)-3,5-dichlorobenzamide, herbicide(3,5-dichlorophenyl)(2-(4-methoxyphenyl)-5-methylbenzofuran-3-yl)methanone

Technology Process of 3,5-Dichlorobenzoyl chloride

There total 13 articles about 3,5-Dichlorobenzoyl 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%

3,5-dichlorobenzoic acid (51-36-5) → 3,5-dichlorobenzoyl chloride (2905-62-6)

Guidance literature:

With thionyl chloride; for 5h; Reflux;

Reference yield: 98.7%

benzoic acid (65-85-0,8013-63-6) → 3,5-dichlorobenzoyl chloride (2905-62-6)

Guidance literature:

benzoic acid; With sulfuric acid; sulfur trioxide; at 40 ℃; for 0.75h; Inert atmosphere;

With thionyl chloride; at 40 ℃; for 2h; Temperature; Further stages; Inert atmosphere;

Reference yield: 94.8%

5-chloroisophthalic acid chloride (2855-02-9) → 3,5-dichlorobenzoyl chloride (2905-62-6)

Guidance literature:

With palladium dichloride; at 200 - 240 ℃; Temperature;

upstream raw materials:

3,5-dichlorobenzoic acid

3,5-dichlorotoluene

carbon monoxide

1-bromo-3,5-dichlorobenzene

Downstream raw materials:

methyl 3,5-dichlorobenzoate

2-[2-(3,5-dichloro-phenyl)-benzooxazol-5-yl]-propionic acid

2-(3,5-dichlorophenyl)propan-2-ol

3,5-Dichloro-N-(1-cyano-3-methylsulfanyl-propyl)-benzamide

Refernces

• 1、 Zhang, Jun,Li, Yue,Wang, Bei,Jia, Ai-Quan,Zhang, Qian-Feng. "Synthesis of Dichlorobenzamide Derivatives: Crystal Structures of 3,5-Dichloro-N-(2-chlorophenyl)benzamide and 3,5-Dichloro-N-(4-chlorophenyl)benzamide". . p. 108 - 115. Retrieved 2020/02/18.
• 2、 Suigo, Lorenzo,Chojnacki, Michaelle,Zanotto, Carlo,Sebastián-Pérez, Victor,Morghen, Carlo De Giuli,Casiraghi, Andrea,Dunman, Paul M.,Valoti, Ermanno,Straniero, Valentina. "Staphylococcus aureus rnpa inhibitors: Computational-guided design, synthesis and initial biological evaluation". . . Retrieved 2021/05/04.