Cas no 4097-47-6 (Phenol,4-(1-methylethyl)-2,6-dinitro-)

Phenol,4-(1-methylethyl)-2,6-dinitro- structure
4097-47-6 structure
Product Name:Phenol,4-(1-methylethyl)-2,6-dinitro-
CAS No:4097-47-6
MF:C9H10N2O5
MW:226.186102390289
CID:329437
PubChem ID:77730
Update Time:2025-04-19

Phenol,4-(1-methylethyl)-2,6-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-(1-methylethyl)-2,6-dinitro-
    • 2,6-dinitro-4-propan-2-ylphenol
    • 4-isopropyl-2,6-dinitrophenol
    • 2,6-Dinitro-4-isopropylphenol
    • 2,6-dinitro-p-isopropylphenol
    • 4-isopropyl-2,6-dinitro-phenol
    • AI3-19043
    • BRN 2467409
    • EINECS 223-855-3
    • Phenol, 2,6-dinitro-4-isopropyl-
    • Phenol, 4-isopropyl-2,6-dinitro-
    • SCHEMBL5078794
    • WLN: WNR BQ CNW EY1&1
    • DTXSID9063295
    • NSC-21481
    • 4097-47-6
    • 4-06-00-03218 (Beilstein Handbook Reference)
    • NSC21481
    • NS00030893
    • 2,6-Dinitro-4-(propan-2-yl)phenol
    • Phenol, 4-(1-methylethyl)-2,6-dinitro-
    • UNII-CWL4FT45FT
    • CWL4FT45FT
    • NSC 21481
    • AKOS025122366
    • EN300-6731769
    • Inchi： 1S/C9H10N2O5/c1-5(2)6-3-7(10(13)14)9(12)8(4-6)11(15)16/h3-5,12H,1-2H3
    • InChI Key： FVMCLNZPDUOPJC-UHFFFAOYSA-N
    • SMILES： OC1=C(C=C(C=C1[N+](=O)[O-])C(C)C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 226.059
  • Monoisotopic Mass: 226.05897142g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 259
  • 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: 2.9
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.4160 (rough estimate)
  • Boiling Point: 367.79°C (rough estimate)
  • Refractive Index: 1.5373 (estimate)
  • PSA: 106.51
  • LogP: 3.37840

Phenol,4-(1-methylethyl)-2,6-dinitro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-6731769-0.05g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
0.05g
 $218.0 2023-05-30
Enamine
EN300-6731769-0.1g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
0.1g
 $326.0 2023-05-30
Enamine
EN300-6731769-0.25g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
0.25g
 $466.0 2023-05-30
Enamine
EN300-6731769-0.5g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
0.5g
 $735.0 2023-05-30
Enamine
EN300-6731769-1.0g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
1g
 $943.0 2023-05-30
Enamine
EN300-6731769-2.5g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
2.5g
 $1848.0 2023-05-30
Enamine
EN300-6731769-5.0g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
5g
 $2732.0 2023-05-30
Enamine
EN300-6731769-10.0g
2,6-dinitro-4-(propan-2-yl)phenol
 4097-47-6 95%
10g
 $4052.0 2023-05-30
1PlusChem
1P00CZIX-50mg
4-isopropyl-2,6-dinitrophenol
 4097-47-6 95%
50mg
 $322.00 2024-05-02
1PlusChem
1P00CZIX-100mg
4-isopropyl-2,6-dinitrophenol
 4097-47-6 95%
100mg
 $465.00 2024-05-02

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