4-tert-Butyl-2,6-dinitrophenol

CAS Registry Number®

4097-49-8
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CAS Name

4-tert-Butyl-2,6-dinitrophenol

Molecular Formula

C10H12N2O5

Molecular Mass

240.21

Cite this Page

4-tert-Butyl-2,6-dinitrophenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4097-49-8 (retrieved 2024-05-02) (CAS RN: 4097-49-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H3

InChIKey

InChIKey=NJBDTWSOYUZQPM-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(O)C(N(=O)=O)=CC(C(C)(C)C)=C1

Canonical SMILES

O=N(=O)C=1C=C(C=C(C1O)N(=O)=O)C(C)(C)C

Other Names for this Substance

  • Phenol, 4-(1,1-dimethylethyl)-2,6-dinitro-
  • Phenol, 4-tert-butyl-2,6-dinitro-
  • 4-(1,1-Dimethylethyl)-2,6-dinitrophenol
  • 2,6-Dinitro-p-(tert-butyl)phenol
  • 2,6-Dinitro-4-tert-butylphenol

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