6h-benzotriazolo(2,1-a)benzotriazol-5-ium, inner salt
Basic information
- CAS
7120-73-2- Standard SMILES
c1ccc2c(c1)nn1c3ccccc3[n-][n+]21- InChIKey
GNYDVCSYVQXVGF-UHFFFAOYSA-N- Molecular formula
- C12H8N4
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.07489627
Names & identifiers
- Preferred name
- 6h-benzotriazolo(2,1-a)benzotriazol-5-ium, inner salt
- IUPAC
- benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide
- English name
- Dibenzo-1,3a,4,6a-tetraazapentalene
- Molecular formula
- C12H8N4
- Molecular weight
- 208.22
Names & synonyms
7120-73-26H-Benzotriazolo[2,1-a]benzotriazol-5-ium, inner saltDTXSID80645676H-Benzotriazolo(2,1-a)benzotriazol-5-ium, inner saltRefChem:105383DTXCID4046945CHEMBL3948780SCHEMBL38652608AKOS000541049ST502158645,6-dihydrobenzotriazolo[2,1-a]benzotriazole[1,2,3]Benzotriazolo[2,1-a][1,2,3]benzotriazol-5-ium-6-ide
Show more names
Dibenzo-1,3a,4,6a-tetraazapentalene[11H-Benzotriazolo[2,1-a]benzotriazol-6-ium]-11-ide
Database identifiers
- CAS
7120-73-2- PubChem CID
- 81547
- DTXSID
DTXSID8064567- ChEMBL
CHEMBL3948780- Nikkaji
- J2.915.176H、J236.310K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 237 · 237-238 °C
- Density
- 1.425 g/cm3 · 1.425 g/cm3
- EPA Substance Registry System
- 6 H-Benzotriazolo[2,1-a]benzotriazol-5-ium, · 6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, inner salt (7120-73-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information6H-Benzotriazolo[2,1-a]benzotriazol-5-ium, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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