ChemArche
Sign inAccount

Molecule record

4-nitrobenzaldehyde

C7H5NO3

151.12 g/mol

Loading structure

Molecular properties

Formula
C7H5NO3
Molar mass
151.12 g·mol−1
Exact mass
151.0269 Da
6
PubChem CID
541

Functional groups

Aldehyde
Aromatic ring
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 209-084-5
  • 4-FORMYLNITROBENZENE
  • 4-Nitro-benzaldehyde
  • 4-Nitrobenzaldehyde, Vetec(TM) reagent grade, 98%
  • 4-nitrobenz aldehyde
  • 555-16-8
  • Benzaldehyde, 4-nitro-
  • Benzaldehyde, p-nitro-
Show all 24 synonyms
  • CCRIS-1675
  • CHEBI:66926
  • DTXCID402061
  • DTXSID5022061
  • EINECS 209-084-5
  • EN300-18420
  • MFCD00007346
  • NSC-6103
  • NX859P8MB0
  • RefChem:100037
  • STR00898
  • UNII-NX859P8MB0
  • p-Formylnitrobenzene
  • p-Nitrobenzaldehyde
  • p-nitro benzaldehyde
  • para-nitrobenzaldehyde

Structure identifiers

Canonical SMILES
O=Cc1ccc([N+](=O)[O-])cc1
Isomeric SMILES
C1=CC(=CC=C1C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChIKey
BXRFQSNOROATLV-UHFFFAOYSA-N
PubChem CID
541

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitrobenzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitrobenzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record