4-Nitrosoaniline
Impurity reference standard
- CAS number
- 659-49-4
- InChIKey
- SALQMMXSINGXMI-UHFFFAOYSA-N
- Molecular formula
- C6H6N2O
- Molecular weight
- 122.12
- Exact mass
- 122.0480 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About 4-Nitrosoaniline
4-Nitrosoaniline is supplied as an analytical reference standard. It is registered under CAS number 659-49-4.
The compound is characterised by its molecular formula C6H6N2O and a molecular weight of 122.12, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 122.0480 Da, a calculated LogP of 1.67, a topological polar surface area of 55.45 Ų. It presents 1 hydrogen-bond donor and 3 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃ ~ 8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 1.67
- Topological polar surface area
- 55.45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Rings
- 1
- Elemental composition
- C 59.01% · H 4.95% · N 22.94% · O 13.10%
Frequently asked questions
What purity does 4-Nitrosoaniline ship at?
4-Nitrosoaniline is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 4-Nitrosoaniline come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is 4-Nitrosoaniline uniquely identified?
The InChIKey SALQMMXSINGXMI-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 4-Nitrosoaniline?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for 4-Nitrosoaniline?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 4-Nitrosoaniline be stored?
Recommended storage: 2℃ ~ 8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.