Benzoic acid, 4-nitro-, pentyl ester

CAS Registry Number®

14309-42-3
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CAS Name

Benzoic acid, 4-nitro-, pentyl ester

Molecular Formula

C12H15NO4

Molecular Mass

237.25

Cite this Page

Benzoic acid, 4-nitro-, pentyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14309-42-3 (retrieved 2024-09-02) (CAS RN: 14309-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    150-161 °C @ Press: 4 Torr

  • Melting Point (2)

    11.2 °C

  • Density (1)

    1.1410 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3

InChIKey

InChIKey=BFKGHSXQYBELBN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-nitro-, pentyl ester
  • Benzoic acid, p-nitro-, pentyl ester
  • Amyl p-nitrobenzoate
  • Pentyl 4-nitrobenzoate
  • n-Pentyl p-nitrobenzoate