2H-1,2,3,4-tetrazole-5-carboxylic acid
Impurity reference standard
- CAS number
- 75773-99-8
- InChIKey
- IKNZBNHVVQIRTO-UHFFFAOYSA-N
- Molecular formula
- C2H2N4O2
- Molecular weight
- 114.06
- Exact mass
- 114.0178 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About 2H-1,2,3,4-tetrazole-5-carboxylic acid
2H-1,2,3,4-tetrazole-5-carboxylic acid is supplied as an analytical reference standard. It is registered under CAS number 75773-99-8.
The compound is characterised by its molecular formula C2H2N4O2 and a molecular weight of 114.06, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 114.0178 Da, a calculated LogP of -1.10, a topological polar surface area of 91.76 Ų. It presents 2 hydrogen-bond donors and 4 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)
- -1.10
- Topological polar surface area
- 91.76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Rings
- 1
- Elemental composition
- C 21.06% · H 1.77% · N 49.12% · O 28.05%
Frequently asked questions
What purity does 2H-1,2,3,4-tetrazole-5-carboxylic acid ship at?
2H-1,2,3,4-tetrazole-5-carboxylic acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 2H-1,2,3,4-tetrazole-5-carboxylic acid 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 2H-1,2,3,4-tetrazole-5-carboxylic acid uniquely identified?
The InChIKey IKNZBNHVVQIRTO-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 2H-1,2,3,4-tetrazole-5-carboxylic acid?
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 2H-1,2,3,4-tetrazole-5-carboxylic acid?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 2H-1,2,3,4-tetrazole-5-carboxylic acid 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.