Benzenemethanol, 4-nitro-, 1-benzoate

CAS Registry Number®

4457-41-4

CAS Name

Benzenemethanol, 4-nitro-, 1-benzoate

Molecular Formula

C14H11NO4

Molecular Mass

257.24

Cite this Page

Benzenemethanol, 4-nitro-, 1-benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4457-41-4 (retrieved 2024-12-23) (CAS RN: 4457-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H11NO4/c16-14(12-4-2-1-3-5-12)19-10-11-6-8-13(9-7-11)15(17)18/h1-9H,10H2

InChIKey

InChIKey=CRTADXBPEXSZLH-UHFFFAOYSA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C2=CC=CC=C2

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)C=2C=CC=CC2

Other Names for this Substance

  • Benzenemethanol, 4-nitro-, 1-benzoate
  • Benzyl alcohol, p-nitro-, benzoate
  • Benzenemethanol, 4-nitro-, benzoate (ester)
  • p-Nitrobenzyl benzoate
  • 4-Nitrobenzyl benzoate

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