1,1'-(1,3-Phenylene)bis[1H-tetrazole]
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Basic information
- CAS
125620-14-6- Standard SMILES
c1cc(-n2cnnn2)cc(-n2cnnn2)c1- InChIKey
VPTBPVRFCCEOME-UHFFFAOYSA-N- Molecular formula
- C8H6N8
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 214.07154223
Names & identifiers
- Preferred name
- 1,1'-(1,3-Phenylene)bis[1H-tetrazole]
- IUPAC
- 1-[3-(tetrazol-1-yl)phenyl]tetrazole
- English name
- 1-[3-(1H-tetraazol-1-yl)phenyl]-1H-tetraazole
- Molecular formula
- C8H6N8
- Molecular weight
- 214.19
Names & synonyms
125620-14-61,1'-(1,3-Phenylene)bis[1H-tetrazole]1,1'-(1,3-Phenylene)bis(1H-tetrazole)RefChem:2118941-[3-(1H-tetraazol-1-yl)phenyl]-1H-tetraazole1-[3-(tetrazol-1-yl)phenyl]tetrazoleSCHEMBL211523281,3-bis(tetrazol-1-yl)benzeneDTXSID6012870191,3-di(1H-tetrazol-1-yl)benzeneSTK722221AKOS000540938
Show more names
1H-Tetrazole, 1,1'-(1,3-phenylene)bis-
1,1'-benzene-1,3-diylbis(1H-tetrazole)ST509993791,1a(2)-(1,3-Phenylene)bis[1H-tetrazole]AG-670/31513024AH-034/113652871-(3-(1,2,3,4-tetraazolyl)phenyl)-1,2,3,4-tetraazole
Database identifiers
- CAS
125620-14-6- PubChem CID
- 676500
- DTXSID
DTXSID601287019
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 210 · 210-211 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 485.7 · 485.7±55.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 0.57 · 0.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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