Molecular properties
- Formula
- C10H13NO2
- Molar mass
- 179.22 g·mol−1
- Exact mass
- 179.0946 Da
- 5
- PubChem CID
- 76773
Molecule record
1-tert-butyl-4-nitrobenzene
C10H13NO2
179.22 g/mol
Loading structure
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-(1,1-Dimethylethyl)-4-nitrobenzene
- 221-922-1
- 3282-56-2
- 4-Nitro-tert-butylbenzene
- 4-t-Butylnitrobenzene
- 4-t-butyl nitrobenzene
- 4-tert-Butylnitrobenzene
- Benzene, 1-(1,1-dimethylethyl)-4-nitro-
Show all 24 synonyms
- Benzene,1-dimethylethyl)-4-nitro-
- CS-0318095
- D88902
- DTXCID601014139
- DTXSID00876025
- EINECS 221-922-1
- FT-0608308
- MFCD00041253
- NSC 43040
- NSC43040
- RefChem:436754
- SCHEMBL397351
- p-Nitro-t-butylbenzene
- p-Nitro-tert-butylbenzene
- p-t-Butylnitrobenzene
- tert-butyl-4-nitrobenzene
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
- InChIKey
- XSCPVQNNFLHGHY-UHFFFAOYSA-N
- PubChem CID
- 76773
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-tert-butyl-4-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-tert-butyl-4-nitrobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.