Benzoic acid, 3,5-dinitro-, cyclohexyl ester

CAS Registry Number®

1158-19-6

CAS Name

Benzoic acid, 3,5-dinitro-, cyclohexyl ester

Molecular Formula

C13H14N2O6

Molecular Mass

294.26

Cite this Page

Benzoic acid, 3,5-dinitro-, cyclohexyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1158-19-6 (retrieved 2024-11-22) (CAS RN: 1158-19-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H14N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h6-8,12H,1-5H2

InChIKey

InChIKey=WQRHLXDZHGLFIX-UHFFFAOYSA-N

SMILES

C(OC1CCCCC1)(=O)C2=CC(N(=O)=O)=CC(N(=O)=O)=C2

Canonical SMILES

O=C(OC1CCCCC1)C=2C=C(C=C(C2)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3,5-dinitro-, cyclohexyl ester
  • Cyclohexanol, 3,5-dinitrobenzoate
  • Cyclohexyl 3,5-dinitrobenzoate

CAS INSIGHTSTM
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