3,5,6-Triphenyl-1,2,4-triazine
Basic information
- CAS
24108-44-9- Standard SMILES
c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1- InChIKey
IMJWQBWRRPZDAZ-UHFFFAOYSA-N- Molecular formula
- C21H15N3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.12659749
Names & identifiers
- Preferred name
- 3,5,6-Triphenyl-1,2,4-triazine
- IUPAC
- 3,5,6-triphenyl-1,2,4-triazine
- English name
- 3,5,6-Triphenyl-1,2,4-triazine
- Molecular formula
- C21H15N3
- Molecular weight
- 309.36
Names & synonyms
3,5,6-triphenyl-1,2,4-triazine24108-44-9DTXSID00423371RefChem:271387DTXCID20374210668-288-6SCHEMBL3445210AKOS024337322DB-0817531,2,4-Triazine, 3,5,6-triphenyl-
Database identifiers
- CAS
24108-44-9- PubChem CID
- 6409950
- DTXSID
DTXSID00423371- EC Number
- 668-288-6
- Nikkaji
- J361.623A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 145 · 145-146 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 504 · 504.0±53.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 0.54 · 0.54±0.63(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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