Benzoic acid, 4-nitro-, octyl ester

CAS Registry Number®

6500-50-1

CAS Name

Benzoic acid, 4-nitro-, octyl ester

Molecular Formula

C15H21NO4

Molecular Mass

279.33

Cite this Page

Benzoic acid, 4-nitro-, octyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6500-50-1 (retrieved 2025-05-04) (CAS RN: 6500-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    178-179 °C @ Press: 1 Torr

  • Melting Point (2)

    16.6 °C

  • Density (2)

    1.0817 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3

InChIKey

InChIKey=WHZYPQVZYYTVFW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-nitro-, octyl ester
  • Benzoic acid, p-nitro-, octyl ester
  • Octyl p-nitrobenzoate
  • Octyl 4-nitrobenzoate
  • 1-Octyl 4-nitrobenzoate

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