Molecular properties
- Formula
- C10H13NO2
- Molar mass
- 179.22 g·mol−1
- Exact mass
- 179.0946 Da
- 5
- PubChem CID
- 107249
Molecule record
1-butan-2-yl-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-Methylpropyl)-4-nitrobenzene
- 1-nitro-4-sec-butyl-benzene
- 1-sec-Butyl-4-nitrobenzene
- 4-Nitro-sec-butylbenzene
- 4-sec-Butylnitrobenzene
- 4237-40-5
- AKOS016846186
- AS-59444
Show all 24 synonyms
- B2428
- Benzene, 1-(1-methylpropyl)-4-nitro-
- CS-0317849
- DTXCID401023524
- DTXSID30884052
- EINECS 224-196-4
- F330009
- IQRMCUYGEZOTSV-UHFFFAOYSA-
- IQRMCUYGEZOTSV-UHFFFAOYSA-N
- InChI=1/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
- MFCD00130025
- NS00049072
- RefChem:562358
- SCHEMBL11712007
- SCHEMBL11712010
- SCHEMBL173199
Structure identifiers
- Canonical SMILES
- CCC(C)c1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- CCC(C)C1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
- InChIKey
- IQRMCUYGEZOTSV-UHFFFAOYSA-N
- PubChem CID
- 107249
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-butan-2-yl-4-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-butan-2-yl-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.