Diclofenac-d4 Sodium Salt (phenyl-d4-acetic)
Impurity reference standard
- CAS number
- 154523-54-3
- InChIKey
- KPHWPUGNDIVLNH-QOJBZNDNSA-M
- Molecular formula
- C14H6D4Cl2NNaO2
- Molecular weight
- 322.16
- Exact mass
- 321.0237 Da
- Purity
- 95%+
- Appearance
- White to Pale Yellow Solid
- Storage
- 2℃ ~ 8℃
About Diclofenac-d4 Sodium Salt (phenyl-d4-acetic)
Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) is supplied as an analytical reference standard. It is registered under CAS number 154523-54-3.
The compound is characterised by its molecular formula C14H6D4Cl2NNaO2 and a molecular weight of 322.16, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 321.0237 Da, a calculated LogP of 3.91, a topological polar surface area of 38.33 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)
- 3.91
- Topological polar surface area
- 38.33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Rings
- 2
Frequently asked questions
What purity does Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) ship at?
Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) 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 Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) uniquely identified?
The InChIKey KPHWPUGNDIVLNH-QOJBZNDNSA-M identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Diclofenac-d4 Sodium Salt (phenyl-d4-acetic)?
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 Diclofenac-d4 Sodium Salt (phenyl-d4-acetic)?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Diclofenac-d4 Sodium Salt (phenyl-d4-acetic) 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.