Methyl 4-chloro-2-(chlorosulfonyl)benzoate

Base Information

• Chemical Name: Methyl 4-chloro-2-(chlorosulfonyl)benzoate
• CAS No.: 85392-01-4
• Molecular Formula: C8H6Cl2O4S
• Molecular Weight: 269.105
• Hs Code.: 2916399090
• European Community (EC) Number: 286-858-9
• UNII: 6MN5FSS85W
• DSSTox Substance ID: DTXSID60234586
• Nikkaji Number: J310.396J
• Wikidata: Q72489171
• Mol file: 85392-01-4.mol

Synonyms:methyl 4-chloro-2-(chlorosulfonyl)benzoate;85392-01-4;Methyl 4-chloro-2-(chlorosulphonyl)benzoate;methyl 4-chloro-2-chlorosulfonylbenzoate;C8H6Cl2O4S;EINECS 286-858-9;6MN5FSS85W;4-chloro-2-(chlorosulfonyl)benzoic acid methyl ester;methyl4-chloro-2-(chlorosulfonyl)benzoate;4-CHLORO-2-(CHLOROSULFONYL) BENZOIC ACID METHYL ESTER;UNII-6MN5FSS85W;SCHEMBL5452555;C8-H6-Cl2-O4-S;DTXSID60234586;AKVPERSFJZUJKD-UHFFFAOYSA-N;MFCD07368143;STL218823;AKOS000164630;AB31799;CS-W019221;methyl 2-chlorosulfonyl-4-chlorobenzoate;AS-17738;FT-0647478;EN300-31347;methyl 4-chloranyl-2-chloranylsulfonyl-benzoate;4-chloro-2-chlorosulfonylbenzoic acid methyl ester;A841319;BENZOIC ACID, 4-CHLORO-2-(CHLOROSULFONYL)-, METHYL ESTER;BENZOIC ACID, 4-CHLORO-2-(CHLOROSULPHONYL)-, METHYL ESTER

Chemical Property of Methyl 4-chloro-2-(chlorosulfonyl)benzoate

Chemical Property:

• Vapor Pressure: 7.49E-06mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 376 °C at 760 mmHg
• Flash Point: 181.2 °C
• PSA: 68.82000
• Density: 1.529 g/cm³
• LogP: 3.13490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 267.9363852
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl4-chloro-2-(chlorosulfonyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)Cl)S(=O)(=O)Cl

Technology Process of Methyl 4-chloro-2-(chlorosulfonyl)benzoate

There total 5 articles about Methyl 4-chloro-2-(chlorosulfonyl)benzoate 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:

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) → 4-chloro-2-chlorosulfonylbenzoic acid methyl ester (85392-01-4)

Guidance literature:

2-amino-4-chloro-benzoic acid methyl ester; With hydrogenchloride; sodium nitrite; at 0 ℃; for 0.75h;

With sulfur dioxide; acetic acid; copper(l) chloride; at 0 ℃; for 1h;

DOI:10.1002/jhet.5570410322

Reference yield:

C8H7ClO5S → 4-chloro-2-chlorosulfonylbenzoic acid methyl ester (85392-01-4)

Guidance literature:

With chlorine; at 45 ℃; for 0.5h; Industrial scale;

Reference yield:

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 4-chloro-2-chlorosulfonylbenzoic acid methyl ester (85392-01-4)

Guidance literature:

With sulfur dioxide; N-benzyl-N,N,N-triethylammonium chloride; chlorine; copper(II) chloride; sodium nitrite; In hydrogenchloride; water;

upstream raw materials:

2-amino-4-chloro-benzoic acid methyl ester

1,2-dichloro-ethane

2-Amino-4-chlorobenzoic acid

Downstream raw materials:

4-chloro-2-(N-methyl-N-phenylaminesulfonyl)benzoic acid methyl ester

mesosulfuron-methyl

Refernces

• 1、 -. "A method for preparing the methyl two sulphur are prosperous (by machine translation)". . . Retrieved 2017/08/25.
• 2、 -. "Tricyclic benzoylpyrazole derivatives used as a herbicide". Page/Page column 2. . Retrieved 2010/11/23.