2,4-Dichlorobenzoyl chloride

Base Information

• Chemical Name: 2,4-Dichlorobenzoyl chloride
• CAS No.: 89-75-8
• Molecular Formula: C7H3Cl3O
• Molecular Weight: 209.459
• Hs Code.: 29163900
• European Community (EC) Number: 201-936-4
• DSSTox Substance ID: DTXSID2052603
• Nikkaji Number: J1.173H
• Wikidata: Q72465578
• ChEMBL ID: CHEMBL3561077
• Mol file: 89-75-8.mol

Synonyms:2,4-Dichlorobenzoyl chloride;89-75-8;Benzoyl chloride, 2,4-dichloro-;2,4-dichlorobenzene-1-carbonyl chloride;EINECS 201-936-4;2,4-dichloro-benzoyl chloride;AI3-14890;CCRIS 8616;DTXSID2052603;EC 201-936-4;2,4-Dichlorobenzoylchloride;MFCD00000661;2,4-dichlorbenzoylchlorid;2,4-dichloro benzoylchloride;2.4-dichlorobenzoyl chloride;SCHEMBL107060;2,4-dichloro benzoyl chloride;CHEMBL3561077;DTXCID6031176;CEOCVKWBUWKBKA-UHFFFAOYSA-;2,4-Dichlorobenzoic acid chloride;BCP32977;STR00436;Tox21_303889;2,4-Dichlorobenzoyl chloride, 98%;AKOS000121292;CAS-89-75-8;2,4-dichloro-1-benzenecarbonyl chloride;NCGC00357146-01;BP-21168;LS-42601;D0345;FT-0610049;EN300-19509;E78868;Q-200184;F2190-0070;2,4-Dichlorobenzenecarbonylchloride

Chemical Property of 2,4-Dichlorobenzoyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to slightly colored liquid
• Vapor Pressure: 0.1 mm Hg ( 32 °C)
• Melting Point: 28 °C(lit.)
• Refractive Index: n20/D 1.592(lit.)
• Boiling Point: 251.8 °C at 760 mmHg
• Flash Point: 103.4 °C
• PSA: 17.07000
• Density: 1.498 g/cm³
• LogP: 3.37240
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Benzene,Ether,Toluene
• Water Solubility.: Reacts with water. Soluble in toluene.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.924948
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichlorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)Cl
• Uses: 2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.

Technology Process of 2,4-Dichlorobenzoyl chloride

There total 7 articles about 2,4-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: 95.5%

2,4 dichlorobenzoic acid (50-84-0) → 2,4-dichlorobenzoyl chloride (89-75-8)

Guidance literature:

With pyridine; oxalyl dichloride; In toluene; at 60 ℃;

DOI:10.1021/op800210x

Reference yield: 93.05%

2,4-dichlorobenzotrichloride (13014-18-1) → 2,4-dichlorobenzoyl chloride (89-75-8)

Guidance literature:

With iron(III) chloride; In water; at 110 ℃; for 2h; Temperature;

Reference yield: 79.0%

2,5-dichlorobenzoic acid (50-79-3) → 2,4-dichlorobenzoyl chloride (89-75-8)

Guidance literature:

With thionyl chloride; for 8h; Heating / reflux;

upstream raw materials:

2,4 dichlorobenzoic acid

2,5-dichlorobenzoic acid

2,4-dichlorobenzaldeyhde

2,4-dichlorobenzotrichloride

Downstream raw materials:

2,4-dichloro-benzoic acid-(2,2,2-trichloro-1-cyano-ethyl ester)

2,4-dichloro-benzoic acid-(N-hydroxy-anilide)

2,4-dichloro-N,N-diethylbenzamide

Allyl 2,4-dichlorobenzoate

Refernces

• 1、 Ujan, Rabail,Saeed, Aamer,Ashraf, Saba,Channar, Pervaiz Ali,Abbas, Qamar,Rind, Mahboob Ali,Hassan, Mubashir,Raza, Hussain,Seo, Sung-Yum,El-Seedi, Hesham R.. "Synthesis, computational studies and enzyme inhibitory kinetics of benzothiazole-linked thioureas as mushroom tyrosinase inhibitors". . p. 7035 - 7043. Retrieved 2020/08/12.
• 2、 Aziz, Hamid,Saeed, Aamer,Khan, Muhammad Aslam,Afridi, Shakeeb,Jabeen, Farukh. "Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides". . p. 763 - 776. Retrieved 2020/03/04.