Cas no 71850-77-6 (Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-)

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- structure
71850-77-6 structure
Product Name:Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
CAS No:71850-77-6
MF:C12H16N2O4
MW:252.266443252563
CID:548509
PubChem ID:126339
Update Time:2025-04-19

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
    • 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene
    • 1-tert-butyl-3,5-dimethyl-2,4-dinitrobenzene
    • 71850-77-6
    • DTXSID9072444
    • 1-tert-Butyl-3,5-dimethyl-4,6-dinitrobenzene
    • Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-
    • 5-tert-Butyl-2,4-dinitro-m-xylene
    • SCHEMBL4923093
    • Inchi： 1S/C12H16N2O4/c1-7-6-9(12(3,4)5)11(14(17)18)8(2)10(7)13(15)16/h6H,1-5H3
    • InChI Key： AOJWKPQIUREKNP-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C(C)=C(C(C)=CC=1C(C)(C)C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 252.111
  • Monoisotopic Mass: 252.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • Density: 1.187
  • Boiling Point: 344.8°C at 760 mmHg
  • Flash Point: 147.7°C

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic anhydride ,  Cupric nitrate Solvents: Carbon tetrachloride
1.2 Reagents: Nitric acid
Reference
Mild and Selective Nitration by Claycop
Gigante, Barbara; et al, Journal of Organic Chemistry, 1995, 60(11), 3445-7

Production Method 2

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Solvents: Acetonitrile
1.2 Reagents: Oxygen ,  Ozone
Reference
Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide
Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

Production Method 3

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Solvents: Hexane
1.2 Reagents: Oxygen ,  Ozone
Reference
Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide
Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

Production Method 4

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Solvents: Hexane
1.2 Reagents: Oxygen ,  Ozone
1.3 Reagents: Water
Reference
Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide
Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Dichloromethane
1.2 Reagents: Water
Reference
Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide
Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- Raw materials

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- Preparation Products

Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro- Related Literature

71850-77-6 (Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitro-) Related Products

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.