2,5-Dinitroaniline
Impurity reference standard
- CAS number
- 619-18-1
- InChIKey
- RZKBRXDCJZLQLI-UHFFFAOYSA-N
- Molecular formula
- C6H5N3O4
- Molecular weight
- 183.12
- Exact mass
- 183.0280 Da
- Purity
- 95%+
About 2,5-Dinitroaniline
2,5-Dinitroaniline is supplied as an analytical reference standard. It is registered under CAS number 619-18-1.
The compound is characterised by its molecular formula C6H5N3O4 and a molecular weight of 183.12, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 183.0280 Da, a calculated LogP of 1.09, a topological polar surface area of 112.30 Ų. It presents 1 hydrogen-bond donor and 5 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.
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)
- 1.09
- Topological polar surface area
- 112.30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Rings
- 1
- Elemental composition
- C 39.35% · H 2.75% · N 22.95% · O 34.95%
Frequently asked questions
What purity does 2,5-Dinitroaniline ship at?
2,5-Dinitroaniline is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 2,5-Dinitroaniline 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 2,5-Dinitroaniline uniquely identified?
The InChIKey RZKBRXDCJZLQLI-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 2,5-Dinitroaniline?
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 2,5-Dinitroaniline?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
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.