Basic information
- CAS
604-45-5- Standard SMILES
c1ccc(N=c2n(-c3ccccc3)c(=Nc3ccccc3)n(-c3ccccc3)c(=Nc3ccccc3)n2-c2ccccc2)cc1- InChIKey
MBZKVOZDQXHTIK-UHFFFAOYSA-N- Molecular formula
- C39H30N6
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.25319498
Names & identifiers
- Preferred name
- Hexaphenylisomelamine
- IUPAC
- 2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
Names & synonyms
Hexaphenylisomelamine604-45-5GNF-Pf-2081CHEMBL602171SCHEMBL11138193DTXSID10862277AKOS024427983N~2~,N~4~,N~6~,1,3,5-Hexaphenyl-1,3,5-triazinane-2,4,6-triimine(2Z,4Z,6Z)-N~2~,N~4~,N~6~,1,3,5-Hexaphenyl-1,3,5-triazinane-2,4,6-triimineN-[1,3,5-triphenyl-4,6-bis(phenylimino)-1,3,5-triazinan-2-ylidene]aniline
Database identifiers
- CAS
604-45-5- PubChem CID
- 136402
- DTXSID
DTXSID10862277- ChEMBL
CHEMBL602171- EC Number
- 105-229-0
- Nikkaji
- J644.119J
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 846
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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