5-Nitroindan
Product Specifications
- CAS
- 7436-07-9
- Molecular Formula
- C9H9NO2
- Appearance
- pale-yellow to off-white solid
- Synonym(s)
- 5-Nitro-2,3-dihydro-1H-indene；1H-Indene, 2,3-dihydro-5-nitro-; beta-Nitroindan; Indan, 5-nitro-; 2,3-Dihydro-5-nitro-1H-indene; 5-nitro-2,3-dihydro-1H-indene; 4(5)-Nitroindan
- Shipping
- 2-8°C
- Storage
- 2-8°C
- SMILES
- C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
Product Information
5-Nitroindan corresponds to CAS 7436-07-9, molecular formula C9H9NO2, and PubChem CID 81940. Its connectivity is SMILES C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-], and the associated InChIKey is DLURUQQMVLOLCP-UHFFFAOYSA-N. PubChem lists 5-nitroindane as a synonym and gives 5-nitro-2,3-dihydro-1H-indene as the systematic name, confirming that these labels share one structure.
The indan skeleton joins a benzene ring to a saturated five-membered carbocycle. In this entry, the nitro group occupies aromatic position 5 and is represented by its charge-separated nitrogen–oxygen bonding pattern. Formula C9H9NO2 therefore includes nine framework carbons, nine hydrogens, one nitrogen, and two oxygens. The structure contains no disconnected salt fragment and has no stereocenter requiring an R or S label. The short forms “indan” and “indane” are treated as naming variants here, but the nitro locant must remain explicit to distinguish other ring-substitution positions.
A catalog inquiry can cite CAS 7436-07-9 and the standardized 5-nitroindan name. Provide the amount being considered, a reply contact, and any request concerning identity documentation. If the request originates from a structure-search result, compare PubChem CID 81940 or InChIKey DLURUQQMVLOLCP-UHFFFAOYSA-N before submission. Rlavie can rely on that pair to map the message to this particular fused-ring nitro compound. Formula C9H9NO2 is a useful composition check, while the CID and structure key preserve the substitution position that the formula cannot show.