2,6-Di-tert-butyl-4-nitrophenol

CAS Registry Number®

728-40-5

CAS Name

2,6-Di-tert-butyl-4-nitrophenol

Molecular Formula

C14H21NO3

Molecular Mass

251.32

Cite this Page

2,6-Di-tert-butyl-4-nitrophenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=728-40-5 (retrieved 2024-11-23) (CAS RN: 728-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157.5 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3

InChIKey

InChIKey=FCGKUUOTWLWJHE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro-
  • Phenol, 2,6-di-tert-butyl-4-nitro-
  • 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol
  • BAY 28589
  • 2,6-Di-tert-butyl-4-nitrophenol

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