2,4-Dinitrophenyl 2,4,6-trimethylbenzenesulfonate

Base Information

• Chemical Name: 2,4-Dinitrophenyl 2,4,6-trimethylbenzenesulfonate
• CAS No.: 1048-37-9
• Molecular Formula: C15H14 N2 O7 S
• Molecular Weight: 366.351
• Hs Code.: 2906299090
• European Community (EC) Number: 662-994-8
• NSC Number: 25841
• DSSTox Substance ID: DTXSID10282431
• Wikidata: Q82016704
• Mol file: 1048-37-9.mol

Synonyms:1048-37-9;2,4-dinitrophenyl 2,4,6-trimethylbenzenesulfonate;(2,4-dinitrophenyl) 2,4,6-trimethylbenzenesulfonate;Benzenesulfonic acid,2,4,6-trimethyl-, 2,4-dinitrophenyl ester;2-(2,4-DINITROPHENOXY)SULFONYL-1,3,5-TRIMETHYL-BENZENE;NSC25841;DTXSID10282431;NSC-25841;AKOS024434891;2,4-Dinitrophenyl 2,4,6-trimethylbenzene-1-sulfonate

Chemical Property of 2,4-Dinitrophenyl 2,4,6-trimethylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 2.52E-11mmHg at 25°C
• Boiling Point: 543.6°C at 760 mmHg
• Flash Point: 282.5°C
• PSA: 143.39000
• Density: 1.433g/cm³
• LogP: 5.32310
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 366.05217196
• Heavy Atom Count: 25
• Complexity: 595

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-TRIMETHYL-BENZENESULFONIC ACID 2,4-DINITRO-PHENYL ESTER AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Technology Process of 2,4-Dinitrophenyl 2,4,6-trimethylbenzenesulfonate

There total 1 articles about 2,4-Dinitrophenyl 2,4,6-trimethylbenzenesulfonate 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:

→ 2,4,6-trimethyl-benzenesulfonic acid-(2,4-dinitro-phenyl ester) (1048-37-9)

Guidance literature:

/BRN= 2659086/;

DOI:10.1021/ja01518a020

Reference yield:

2,4,6-trimethyl-benzenesulfonic acid-(2,4-dinitro-phenyl ester) (1048-37-9) + aniline (62-53-3) → N-phenyl-2,4-dinitroaniline (961-68-2)

Guidance literature:

In 1,4-dioxane; water; at 10 - 70 ℃; Kinetics;

Downstream raw materials:

N-phenyl-2,4-dinitroaniline