5-Chloro-2-methylbenzenesulfonamide

Base Information

• Chemical Name: 5-Chloro-2-methylbenzenesulfonamide
• CAS No.: 51896-26-5
• Molecular Formula: C7H8ClNO2S
• Molecular Weight: 205.6619
• NSC Number: 83626
• DSSTox Substance ID: DTXSID70292556
• Nikkaji Number: J1.868.336I
• Wikidata: Q82030909
• Mol file: 51896-26-5.mol

Synonyms:5-chloro-2-methylbenzenesulfonamide;51896-26-5;5-chloro-2-methyl-benzenesulfonamide;5-Chloro-2-methylbenzene-1-sulfonamide;NSC83626;SCHEMBL8295455;DTXSID70292556;CBAGDBAYLVYWPM-UHFFFAOYSA-N;3-chloro-6-methylbenzenesulphamide;BCA89626;GS0926;MFCD11618898;NSC-83626;AKOS008623097;EN300-271566

Chemical Property of 5-Chloro-2-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 9.77E-06mmHg at 25°C
• Boiling Point: 372.2°Cat760mmHg
• Flash Point: 178.9°C
• Density: 1.402g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9964274
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)S(=O)(=O)N

Technology Process of 5-Chloro-2-methylbenzenesulfonamide

There total 6 articles about 5-Chloro-2-methylbenzenesulfonamide 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: 93.0%

5-chloro-2-methyl-benzene-sulfonyl chloride (34981-38-9) → 2-aminosulfonyl-4-chlorotoluene (51896-26-5)

Guidance literature:

With ammonia; In water; at 30 - 80 ℃; for 1h;

Reference yield:

→ 2-aminosulfonyl-4-chlorotoluene (51896-26-5)

Guidance literature:

With ammonia; water;

DOI:10.1021/ja01860a014

Reference yield:

para-chlorotoluene (106-43-4) → 2-aminosulfonyl-4-chlorotoluene (51896-26-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / chlorosulfonic acid / 1 h / 10 °C

2: 93 percent / ammonia / H₂O / 1 h / 30 - 80 °C

With chlorosulfonic acid; ammonia; In water;

upstream raw materials:

4-amino-toluene-2-sulfonic acid

5-chloro-2-methyl-benzene-sulfonyl chloride

para-chlorotoluene

Downstream raw materials:

6-chloro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C₁₆H₁₀Cl₂F₃N₃O₃S