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Molecule record

1-nitro-4-propan-2-ylbenzene

C9H11NO2

165.19 g/mol

Loading structure

Molecular properties

Formula
C9H11NO2
Molar mass
165.19 g·mol−1
Exact mass
165.0790 Da
5
PubChem CID
15749

Functional groups

Alkane / alkyl carbon
Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 1-(1-Methylethyl)-4-nitrobenzene
  • 1-Isopropyl-4-nitrobenzene
  • 1817-47-6
  • 2-(p-Nitrophenyl)propane
  • 217-326-6
  • 4-ISOPROPYL-1-NITROBENZENE
  • 4-ISOPROPYLNITROBENZENE
  • 4-NITRO-1-ISOPROPYLBENZENE
Show all 24 synonyms
  • 4-Nitrocumene
  • 4-Nitroisopropylbenzene
  • 4MYK0B424T
  • Benzene, 1-(1-methylethyl)-4-nitro-
  • Cumene, p-nitro-
  • Cumene, p-nitro-(8CI)
  • DTXCID7035771
  • DTXSID6061991
  • EINECS 217-326-6
  • InChI=1/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H
  • MFCD00039746
  • NSC 14494
  • RefChem:524342
  • p-Isopropylnitrobenzene
  • p-Nitrocumene
  • p-Nitroisopropylbenzene

Structure identifiers

Canonical SMILES
CC(C)c1ccc([N+](=O)[O-])cc1
Isomeric SMILES
CC(C)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3
InChIKey
JXMYUMNAEKRMIP-UHFFFAOYSA-N
PubChem CID
15749

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 1-nitro-4-propan-2-ylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-nitro-4-propan-2-ylbenzene; 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