1,5-Diphenyl-2,3,6,7-tetrahydro-1H,5H-S-triazolo(1,2-A)-S-triazole-3,7-dione
Basic information
- CAS
62442-52-8- Standard SMILES
O=C1NC(c2ccccc2)N2C(=O)NC(c3ccccc3)N12- InChIKey
IKBJNVWTOSWDGY-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- 1,5-Diphenyl-2,3,6,7-tetrahydro-1H,5H-S-triazolo(1,2-A)-S-triazole-3,7-dione
- IUPAC
- 1,5-diphenyl-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
- English name
- 1,5-Diphenyl-2,3,6,7-tetrahydro-1H,5H-s-triazolo(1,2-a)-s-triazole-3,7-dione
- Molecular formula
- C16H14N4O2
- Molecular weight
- 294.31
Names & synonyms
1,5-DIPHENYL-2,3,6,7-TETRAHYDRO-1H,5H-S-TRIAZOLO(1,2-A)-S-TRIAZOLE-3,7-DIONERefChem:417297663-152-262442-52-83,7-Diphenyltetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dioneNSC5256191,5-diphenyl-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dioneDTXSID40326231AKOS024341043NSC-5256193,7-Diphenyltetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dione, tetrahydro-3,7-diphenyl-
Database identifiers
- CAS
62442-52-8- PubChem CID
- 352277
- DTXSID
DTXSID40326231- EC Number
- 663-152-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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