5-tert-Butyl-4,6-dinitro-m-xylene

Base Information

• Chemical Name: 5-tert-Butyl-4,6-dinitro-m-xylene
• CAS No.: 84434-22-0
• Molecular Formula: C12H16 N2 O4
• Molecular Weight: 252.27
• Hs Code.: 2904209090
• European Community (EC) Number: 282-822-1
• UNII: LR57TMF6F3
• DSSTox Substance ID: DTXSID50233402
• Nikkaji Number: J297.680C
• Wikidata: Q83114908
• Mol file: 84434-22-0.mol

Synonyms:5-tert-Butyl-4,6-dinitro-m-xylene;84434-22-0;EINECS 282-822-1;LR57TMF6F3;UNII-LR57TMF6F3;Benzene, 3-(1,1-dimethylethyl)-1,5-dimethyl-2,4-dinitro-;SCHEMBL4924130;DTXSID50233402;1-tert-Butyl-3,5-dimethyl-2,6-dinitrobenzene;3-(1,1-DIMETHYLETHYL)-1,5-DIMETHYL-2,4-DINITROBENZENE

Chemical Property of 5-tert-Butyl-4,6-dinitro-m-xylene

Chemical Property:

• Vapor Pressure: 5.61E-05mmHg at 25°C
• Boiling Point: 357.5°C at 760 mmHg
• Flash Point: 156.7°C
• PSA: 91.64000
• Density: 1.187g/cm³
• LogP: 4.46370
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-tert-Butyl-4,6-dinitro-m-xylene

There total 4 articles about 5-tert-Butyl-4,6-dinitro-m-xylene 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:

5-tert-Butyl-m-xylene (98-19-1) → 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene (71850-77-6,94594-30-6) + 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene (84434-22-0)

Guidance literature:

With Nitrogen dioxide; ozone; In dichloromethane; at -10 ℃; for 3h;

DOI:10.1055/s-1999-3544

Reference yield:

→ 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene (84434-22-0)

Guidance literature:

With ethanol; Diazotization;

Reference yield:

1-tert-butyl-3,5-dimethyl-4-amino-2,6-dinitrobenzenet (107342-55-2) → 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene (84434-22-0)

Guidance literature:

Diazotization_.Kochen der Diazonium-Salz-Loesung mit Aethanol;

upstream raw materials:

1-tert-butyl-3,5-dimethyl-4-amino-2,6-dinitrobenzenet

5-tert-Butyl-m-xylene

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