1,1-Dimethylethyl 3,5-dinitrobenzoate

CAS Registry Number®

5342-97-2
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CAS Name

1,1-Dimethylethyl 3,5-dinitrobenzoate

Molecular Formula

C11H12N2O6

Molecular Mass

268.22

Cite this Page

1,1-Dimethylethyl 3,5-dinitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5342-97-2 (retrieved 2024-07-06) (CAS RN: 5342-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142.5-143.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12N2O6/c1-11(2,3)19-10(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6H,1-3H3

InChIKey

InChIKey=JETCTPYQTQUQPA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-dinitro-, 1,1-dimethylethyl ester
  • Benzoic acid, 3,5-dinitro-, tert-butyl ester
  • tert-Butyl alcohol, 3,5-dinitrobenzoate
  • 1,1-Dimethylethyl 3,5-dinitrobenzoate
  • tert-Butyl 3,5-dinitrobenzoate

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