Cas no 92892-04-1 (2,3,5-Trimethyl-4-nitrophenol)

2,3,5-Trimethyl-4-nitrophenol structure
2,3,5-Trimethyl-4-nitrophenol structure
Product Name:2,3,5-Trimethyl-4-nitrophenol
CAS No:92892-04-1
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD11865352
CID:2440059
PubChem ID:13331246
Update Time:2025-04-21

2,3,5-Trimethyl-4-nitrophenol Chemical and Physical Properties

Names and Identifiers

    • 2,3,5-trimethyl-4-nitrophenol
    • 4-Nitro-2,3,5-trimethylphenol
    • 92892-04-1
    • DB-206163
    • DTXSID80537127
    • Phenol, 2,3,5-trimethyl-4-nitro-
    • AKOS027339233
    • MFCD11865352
    • SCHEMBL9446338
    • AS-40444
    • 2,3,5-Trimethyl-4-nitrophenol
    • MDL: MFCD11865352
    • Inchi: 1S/C9H11NO3/c1-5-4-8(11)6(2)7(3)9(5)10(12)13/h4,11H,1-3H3
    • InChI Key: QOCJGBIUCNTAJZ-UHFFFAOYSA-N
    • SMILES: OC1=CC(C)=C(C(C)=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 181.07389321Da
  • Monoisotopic Mass: 181.07389321Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: 1.9
  • Topological Polar Surface Area: 66.1?2

2,3,5-Trimethyl-4-nitrophenol Pricemore >>

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2,3,5-Trimethyl-4-nitrophenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic anhydride ,  Nitric acid ;  30 min, -60 °C
Reference
Competitive pseudopericyclic [3,3]- and [3,5]-sigmatropic rearrangements of trichloroacetimidates
Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M., Journal of Organic Chemistry, 2015, 80(23), 11734-11743

2,3,5-Trimethyl-4-nitrophenol Raw materials

2,3,5-Trimethyl-4-nitrophenol Preparation Products

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