Molecular properties
- Formula
- C10H13NO2
- Molar mass
- 179.22 g·mol−1
- Exact mass
- 179.0946 Da
- 5
- PubChem CID
- 74674
Molecule record
1-tert-butyl-2-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)-2-nitrobenzene
- 1-Nitro-2-tert-butylbenzene
- 1-tert-Butyl-2-nitro-benzene
- 1886-57-3
- 2-(Tert-butyl)nitrobenzene
- 2-Nitro-tert-butylbenzene
- 2-t-Butylnitrobenzene
- 2-tert-Butyl-1-nitrobenzene
Show all 24 synonyms
- 217-554-6
- Benzene, 1-(1,1-dimethylethyl)-2-nitro-
- Benzene,1-(1,1-dimethylethyl)-2-nitro-
- DTXCID6094724
- DTXSID20172233
- EINECS 217-554-6
- MFCD00082705
- NSC 43039
- NSC43039
- RefChem:1053691
- SCHEMBL2016086
- SCHEMBL2016088
- SCHEMBL419987
- o-Nitro-tert-butylbenzene
- o-nitro-t-butylbenzene
- o-tert-Butylnitrobenzene
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccccc1[N+](=O)[O-]
- Isomeric SMILES
- CC(C)(C)C1=CC=CC=C1[N+](=O)[O-]
- InChI
- InChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7H,1-3H3
- InChIKey
- IWTHGPTVKBEURV-UHFFFAOYSA-N
- PubChem CID
- 74674
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-2-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-tert-butyl-2-nitrobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.