N-(2-methyl-5-nitrophenyl)benzenesulfonamide

Base Information

• Chemical Name: N-(2-methyl-5-nitrophenyl)benzenesulfonamide
• CAS No.: 121-77-7
• Molecular Formula: C₁₃H₁₂N₂O₄S
• Molecular Weight: 292.315
• Hs Code.: 2935009090
• NSC Number: 49571
• DSSTox Substance ID: DTXSID30287185
• Wikidata: Q82023137
• Mol file: 121-77-7.mol

Synonyms:N-(2-methyl-5-nitrophenyl)benzenesulfonamide;121-77-7;N-(2-METHYL-5-NITRO-PHENYL)BENZENESULFONAMIDE;Benzenesulfonamide, N-(2-methyl-5-nitrophenyl)-;NSC49571;DTXSID30287185;5'-Nitrobenzenesulfono-o-toluidide;NSC-49571;STK031654;AKOS001457015;Benzenesulfono-o-toluidide, 5'-nitro-;AB00088949-01;SR-01000213009;SR-01000213009-1;Z45632633;N-(2-METHYL-5-NITROPHENYL)-1-BENZENESULFONAMIDE

Chemical Property of N-(2-methyl-5-nitrophenyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.5E-08mmHg at 25°C
• Boiling Point: 457.4°Cat760mmHg
• Flash Point: 230.4°C
• PSA: 100.37000
• Density: 1.414g/cm³
• LogP: 4.38100
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 434

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-METHYL-5-NITRO-PHENYL)BENZENESULFONAMIDE 95.00% ^*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)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

Technology Process of N-(2-methyl-5-nitrophenyl)benzenesulfonamide

There total 3 articles about N-(2-methyl-5-nitrophenyl)benzenesulfonamide 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:

benzenesulfonyl chloride (98-09-9) + 2-methyl-5-nitroaniline (99-55-8) → benzenesulfonic acid-(2-methyl-5-nitro-anilide) (121-77-7)

Guidance literature:

With pyridine;

DOI:10.1021/ja01314a038

Reference yield:

2-methyl-5-nitroaniline (99-55-8) → benzenesulfonic acid-(2-methyl-5-nitro-anilide) (121-77-7)

Guidance literature:

With toluene;

Reference yield:

→ benzenesulfonic acid-(2-methyl-5-nitro-anilide) (121-77-7)

Guidance literature:

2-Amino-4-nitro-toluol, Benzolsulfonsaeurechlorid;

upstream raw materials:

benzenesulfonyl chloride

2-methyl-5-nitroaniline