Benzene, 1-(1-methylethyl)-2,4-dinitro-

Base Information

• Chemical Name: Benzene, 1-(1-methylethyl)-2,4-dinitro-
• CAS No.: 89-07-6
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• Hs Code.: 2904209090
• European Community (EC) Number: 201-880-0
• DSSTox Substance ID: DTXSID5058981
• Nikkaji Number: J182.056G
• Wikidata: Q81988625
• Mol file: 89-07-6.mol

Synonyms:89-07-6;Benzene, 1-(1-methylethyl)-2,4-dinitro-;2,4-Dinitrocumene;2,4-dinitro-1-propan-2-ylbenzene;1-ISOPROPYL-2,4-DINITROBENZENE;EINECS 201-880-0;2,4-dinitrocumen;SCHEMBL9735630;DTXSID5058981;2,4-Dinitro-1-(propan-2-yl)benzene;EN300-6731456

Chemical Property of Benzene, 1-(1-methylethyl)-2,4-dinitro-

Chemical Property:

• Vapor Pressure: 0.000264mmHg at 25°C
• Boiling Point: 333.5°C at 760 mmHg
• Flash Point: 157.9°C
• PSA: 91.64000
• Density: 1.288g/cm³
• LogP: 3.67280
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

1-(1-METHYLETHYL)-2,4-DINITRO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(1-methylethyl)-2,4-dinitro-

There total 4 articles about Benzene, 1-(1-methylethyl)-2,4-dinitro- 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: 96.0%

Isopropylbenzene (98-82-8) → 1-isopropyl-2,4-dinitro-benzene (89-07-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 0.5h;

Reference yield:

Isopropylbenzene (98-82-8) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 4-nitrocumene (1817-47-6) + o-nitrocumene (6526-72-3) + 1-isopropyl-2,4-dinitro-benzene (89-07-6)

Guidance literature:

at 10 - 20 ℃;

DOI:10.1021/jo01213a003 DOI:10.1021/ie50502a050

Reference yield:

Isopropylbenzene (98-82-8) → 1-isopropyl-2,4-dinitro-benzene (89-07-6)

Guidance literature:

With sulfuric acid; nitric acid; at 10 - 20 ℃;

DOI:10.1021/jo01213a003

upstream raw materials:

4-nitrocumene

Isopropylbenzene

sulfuric acid

nitric acid

Downstream raw materials:

4-isopropyl-3-nitroaniline

2,4-diamino-1-isopropylbenzene

meta-dinitrobenzene

2-isopropylaniline

Refernces

• 1、 -. "NEW COMPOUND". Paragraph 0316; 0336. . Retrieved 2019/11/26.