2-Chlorobenzenesulfonamide

Base Information

• Chemical Name: 2-Chlorobenzenesulfonamide
• CAS No.: 6961-82-6
• Molecular Formula: C6H6ClNO2S
• Molecular Weight: 191.638
• Hs Code.: 29350090
• European Community (EC) Number: 230-156-7
• NSC Number: 62927
• UNII: 4BT2I28A0C
• DSSTox Substance ID: DTXSID2044979
• Nikkaji Number: J266.003B
• Wikidata: Q27259385
• ChEMBL ID: CHEMBL367983
• Mol file: 6961-82-6.mol

Synonyms:2-chlorobenzenesulfonamide;o-chlorobenzenesulfonamide

Chemical Property of 2-Chlorobenzenesulfonamide

Chemical Property:

• Appearance/Colour: slight yellow powder
• Vapor Pressure: 3.72E-05mmHg at 25°C
• Melting Point: 189-193 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 352.9 °C at 760 mmHg
• PKA: 9.66±0.60(Predicted)
• Flash Point: 167.2 °C
• PSA: 68.54000
• Density: 1.47 g/cm³
• LogP: 2.76850
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 498.3mg/L(15 oC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.9807773
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

98% ^*data from raw suppliers

2-Chlorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)S(=O)(=O)N)Cl
• Uses: 2-Chlorobenzenesulfonamide may be used in the synthesis of 2-chloro-N-(4-methoxybenzoyl)benzenesulfonamide and 1,2,4-thiadiazine ,1-dioxides.

Technology Process of 2-Chlorobenzenesulfonamide

There total 14 articles about 2-Chlorobenzenesulfonamide 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: 99.1%

2-chlorophenylsulfonyl chloride (2905-23-9) → 2-chlorobenzenesulfonamide (6961-82-6)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 2.16667h;

Reference yield: 89.0%

2-(2-chlorobenzenesulfonylamino)-2-methylpropionic acid → 2-chlorobenzenesulfonamide (6961-82-6)

Guidance literature:

With oxygen; copper(II) oxide; In dimethyl sulfoxide; at 100 ℃; for 8h;

DOI:10.1080/00397911.2016.1202981

Reference yield: 71.0%

methyl(phenylsulfonyl)amide (5183-78-8) → 2-chlorobenzenesulfonamide (6961-82-6)

Guidance literature:

With N-chloro-succinimide; silver hexafluoroantimonate; trifluorormethanesulfonic acid; nickel diacetate; In 1,2-dichloro-ethane; at 80 ℃; for 12h; regioselective reaction;

DOI:10.1039/C8NJ06023A

upstream raw materials:

2-chlorophenylsulfonyl isocyanate

o-chloroaniline

2-chlorophenylsulfonyl chloride

1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Downstream raw materials:

N-{1-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-methoxy-benzyl]-1H-indol-6-yl}-2-cyclopentyl-acetamide

N-{3-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-methoxy-benzyl]-1-methyl-1H-indol-5-yl}-2-cyclopentyl-acetamide

2-Chloro-N-{4-[5-(3-cyclobutyl-ureido)-1-methyl-1H-indazol-3-ylmethyl]-3-methoxy-benzoyl}-benzenesulfonamide

N-{3-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-methoxy-benzyl]-1-methyl-1H-indazol-5-yl}-2-cyclopentyl-acetamide

Refernces

• 1、 -. "TREATMENT OF FIBROSIS WITH IRE1 SMALL MOLECULE INHIBITORS". Paragraph 00216. . Retrieved 2020/11/30.
• 2、 -. "IRE1 SMALL MOLECULE INHIBITORS". Paragraph 00276. . Retrieved 2019/05/30.