3-Chloro-4-methylbenzenesulfonamide

Base Information

• Chemical Name: 3-Chloro-4-methylbenzenesulfonamide
• CAS No.: 51896-27-6
• Molecular Formula: C7H8 Cl N O2 S
• Molecular Weight: 205.665
• Hs Code.: 2935009090
• European Community (EC) Number: 654-363-0
• NSC Number: 84181
• DSSTox Substance ID: DTXSID00292620
• Wikidata: Q82030997
• Mol file: 51896-27-6.mol

Synonyms:3-chloro-4-methylbenzenesulfonamide;51896-27-6;3-chloro-4-methylbenzene-1-sulfonamide;2-Chloro-4-sulfamoyltoluene;NSC84181;SCHEMBL1755266;DTXSID00292620;p-Toluenesulfonamide, 3-chloro-,;YAUUWNCFVUUNCM-UHFFFAOYSA-N;3-chloro-4-methylbenzenesulphonamide;3-CHLORO-P-TOLUENESULFONAMIDE;BBL100762;MFCD00025381;NSC-84181;STL554556;AKOS005255168;SB77495;CS-0265202;EN300-96928;Z385450686

Chemical Property of 3-Chloro-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.03E-05mmHg at 25°C
• Melting Point: 135-138℃
• Boiling Point: 361.7°Cat760mmHg
• PKA: 9.94±0.60(Predicted)
• Flash Point: 172.5°C
• PSA: 68.54000
• Density: 1.402g/cm³
• LogP: 3.07690
• XLogP3: 2.2
• 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:

98%min ^*data from raw suppliers

3-Chloro-4-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-methylbenzenesulfonamide

There total 4 articles about 3-Chloro-4-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:

3-chloro-4-methylbenzenesulfonyl chloride (42413-03-6) → 3-chloro-4-methylbenzenesulfonamide (51896-27-6)

Guidance literature:

With ammonia; In chloroform; water; at 20 ℃; for 0.166667h;

Reference yield:

sodium 3-chloro-4-methylbenzenesulfonate → 3-chloro-4-methylbenzenesulfonamide (51896-27-6)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride; N,N-dimethyl-formamide / 6 h / Heating / reflux

2: ammonia / chloroform; water / 0.17 h / 20 °C

With thionyl chloride; ammonia; N,N-dimethyl-formamide; In chloroform; water;

Reference yield:

3-chloro-4-methylbenzenesulfonic acid (98-34-0) → 3-chloro-4-methylbenzenesulfonamide (51896-27-6)

Guidance literature:

With phosphorus pentachloride; ammonia; water;

DOI:10.1021/jo01195a003

upstream raw materials:

3-chloro-4-methylbenzenesulfonic acid

3-chloro-4-methylbenzenesulfonyl chloride

Downstream raw materials:

C₂₁H₂₀Cl₂N₄O₂S

4-bromomethyl-3-chloro-benzenesulfonamide

4-(aminosulfonyl)-2-chlorobenzoic acid

(2-chloro-toluene-4-sulfonyl)-carbamic acid ethyl ester

Refernces

• 1、 -. "Steroid prodrugs with androgenic action". Page/Page column 9. . Retrieved 2008/06/13.
• 2、 -. "Estriol and estetrol prodrugs". Page/Page column 8. . Retrieved 2008/06/13.