1H-5-Azido-tetrazole, sodium salt
- Iupac Name：sodium;5-azido-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
- CAS No.: 35038-45-0
- Molecular Weight：134.05531
- Modify Date.: 2022-10-25 22:26
1. Names and Identifiers
- 1.1 Name
- 1H-5-Azido-tetrazole, sodium salt
- 1.2 Synonyms
1H-5-Azido-tetrazole, sodium salt 1H-Tetrazole, 5-azido-, sodium salt 2H-Tetrazole, 5-azido-, sodium salt (1:1)
- 1.3 CAS No.
- 35038-45-0
- 1.4 CID
- 86583297
- 1.5 Molecular Formula
- CN7Na (isomer)
- 1.6 Inchi
- InChI=1S/CN7.Na/c2-6-3-1-4-7-8-5-1;/q-1;+1
- 1.7 InChIkey
- RNSQAALNRINKRC-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1(=NN=N[N-]1)N=[N+]=[N-].[Na+]
- 1.9 Isomers Smiles
- C1(=NN=N[N-]1)N=[N+]=[N-].[Na+]
2. Properties
- 2.1 Melting point
- 155 °C (decomp)
- 2.1 Boiling point
- 66°C
- 2.1 PSA
- 86.83000
3. Safety and Handling
- 3.1 Hazard Codes
- 3
- 3.1 Safety Statements
- Plates from Me2CO/Et2O. An explosive which is extremely sensitive to friction, heat, or pressure. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also AZIDES.
- 3.1 Safety
-
Plates from Me2CO/Et2O. An explosive which is extremely sensitive to friction, heat, or pressure. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also AZIDES.
4. Computational chemical data
- Molecular Weight: 134.05531g/mol
- Molecular Formula: CN7Na
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 133.01128731
- Monoisotopic Mass: 133.01128731
- Complexity: 106
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 54
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcQADgCAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAABAAIAAAAAAAAAAABEAQAAAAiAAAAIAAAAAIAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Recommended Suppliers
6. Realated Product Infomation
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