Basic information
- CAS
7465-48-7- Standard SMILES
C1CCn2nnnc2C1- InChIKey
BPXHBBLWZXBDPM-UHFFFAOYSA-N- Molecular formula
- C5H8N4
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.07489627
Names & identifiers
- Preferred name
- Tetramethylenetetrazole
- IUPAC
- 5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
- English name
- 5,6,7,8-Tetrahydrotetrazolo[1,5-a]pyridine
- Molecular formula
- C5H8N4
- Molecular weight
- 124.14
Names & synonyms
Tetramethylenetetrazole5,6,7,8-Tetrahydrotetrazolo[1,5-a]pyridineTetrazole, (1,4-butanediyl)-5,6,7,8-Tetrahydrotetrazolo(1,5-a)pyridineCD7WJR77JZTetrazolo(1,5-a)pyridine, 5,6,7,8-tetrahydro-NSC 403766BRN 0130526UNII-CD7WJR77JZNSC-403766DTXSID102256264-26-00-01711 (Beilstein Handbook Reference)
Show more names
Tetrazolo[1,5-a]pyridine, 5,6,7,8-tetrahydro-RefChem:188784DTXCID40148117BPXHBBLWZXBDPM-UHFFFAOYSA-N7465-48-75H,6H,7H,8H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIDINENSC403766Tetrazole,4-butanediyl)-
Database identifiers
- CAS
7465-48-7- PubChem CID
- 81973
- DTXSID
DTXSID10225626- UNII
- CD7WJR77JZ
- Nikkaji
- J15.027D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 117 · 117-118 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
- Boiling point
- 336 · 336.0±11.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 1.28 · 1.28±0.20(Predicted)
- FDA UNII
- 7 WJR77JZ · CD7WJR77JZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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