Benzoyl chloride, 3,6-dichloro-2-methoxy-

Base Information

• Chemical Name: Benzoyl chloride, 3,6-dichloro-2-methoxy-
• CAS No.: 10411-85-5
• Molecular Formula: C8H5 Cl3 O2
• Molecular Weight: 239.485
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID0065064
• Nikkaji Number: J414.437F
• Wikidata: Q81991952
• Mol file: 10411-85-5.mol

Synonyms:3,6-dichloro-2-methoxybenzoyl chloride;10411-85-5;Benzoyl chloride, 3,6-dichloro-2-methoxy-;3,6-Dichloro-o-anisic acid chloride;3,6-DICHLORO-ORTHO-ANISICACIDCHLORIDE;2-Methoxy-3,6-dichlorobenzoyl chloride;SCHEMBL9812091;DTXSID0065064;3,6-dichloro-2-methoxybenzoylchloride;AKOS002673964;3,6-di-chloro-2-methoxybenzoyl chloride;2-methoxy-3,6-dichlorobenzoic acid chloride;3,6-Dichloro-2-methoxybenzoic acid chloride

Chemical Property of Benzoyl chloride, 3,6-dichloro-2-methoxy-

Chemical Property:

• Vapor Pressure: 0.000565mmHg at 25°C
• Boiling Point: 311.4°Cat760mmHg
• Flash Point: 134.8°C
• PSA: 26.30000
• Density: 1.462g/cm³
• LogP: 3.38100
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.935512
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,6-Dichloro-2-methoxybenzoylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1C(=O)Cl)Cl)Cl

Technology Process of Benzoyl chloride, 3,6-dichloro-2-methoxy-

There total 10 articles about Benzoyl chloride, 3,6-dichloro-2-methoxy- 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: 90.0%

3,6-dichloro-O-anisic acid (1918-00-9,62610-39-3,89300-29-8) → 3,6-dichloro-2-methoxybenzoic acid chloride (10411-85-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; for 5h; Reflux;

Reference yield:

dicamba 4-butoxyphenacylmethyl ester (1430102-83-2) → 3,6-dichloro-2-methoxybenzoic acid chloride (10411-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 168 h / 35 °C / Sealed tube; UV-irradiation

2: thionyl chloride / 2.5 h / 80 °C

With thionyl chloride; In tetrahydrofuran;

Reference yield:

dicamba 4-methoxyphenacylmethyl ester (1430102-82-1) → 3,6-dichloro-2-methoxybenzoic acid chloride (10411-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 28 h / 35 °C / Sealed tube; UV-irradiation

2: thionyl chloride / 2.5 h / 80 °C

With thionyl chloride; In tetrahydrofuran;

upstream raw materials:

3,6-dichloro-O-anisic acid

dicamba 4-methoxyphenacylmethyl ester

dicamba 4-butoxyphenacylmethyl ester

2-(3-oxobutyl)-6-dicambyl-2,3-dihydro-3-pyridazinone

Downstream raw materials:

N-(3,6-Dichloro-2-methoxy-benzoyl)-N-methyl-benzenesulfonamide

N-Allyl-N-(3,6-dichloro-2-methoxy-benzoyl)-benzenesulfonamide

3,6-Dichloro-2-methoxy-thiobenzoic acid S-(2-chloro-3-dipropylcarbamoylsulfanyl-propyl) ester

1-(3,6-dichloro-2-methoxybenzoyloxy)-1-(3-chloro-phenyl)-3-methylurea

Refernces

• 1、 -. "A including wo carboxylic acid ester compound and use thereof". Paragraph 0171; 0172; 0173; 0200; 0201. . Retrieved 2017/08/02.
• 2、 Pilyugin,Sapozhnikov,Sapozhnikova. "Acyl derivatives of 2-aminobenzimidazole and their fungicide activity". . p. 738 - 743. Retrieved 2007/10/03.