((1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl))tris(phosphonic acid)
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Basic information
- CAS
1650593-50-2- Standard SMILES
O=P(O)(O)c1ccc(-c2nc(-c3ccc(P(=O)(O)O)cc3)nc(-c3ccc(P(=O)(O)O)cc3)n2)cc1- InChIKey
ONSQZSALRXQAJG-UHFFFAOYSA-N- Molecular formula
- C21H18N3O9P3
- Average molar mass
- 549.3 g/mol
- Monoisotopic mass
- 549.02559015
Names & identifiers
- Preferred name
- ((1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl))tris(phosphonic acid)
- IUPAC
- [4-[4,6-bis(4-phosphonophenyl)-1,3,5-triazin-2-yl]phenyl]phosphonic acid
- English name
- ((1,3,5-triazine-2,4,6-triyl)tris(benzene-4,1-diyl))tris(phosphonic acid)
- Molecular formula
- C21H18N3O9P3
- Molecular weight
- 549.3
Names & synonyms
((1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl))tris(phosphonic acid)1650593-50-2[4-[4,6-bis(4-phosphonophenyl)-1,3,5-triazin-2-yl]phenyl]phosphonic acidorb3217153C21H18N3O9P3CS-0183000F766442,4,6-tri-(phenylene-4-phosphonic acid)-s-triazine(1,3,5-triazine-2,4,6-triyl) tri (benz-4,1-diyl) tri (phosphonic acid)((1,3,5-triazine-2,4,6-triyl)tris(phenyl-4,1-diyl))tris(phosphonic acid)Phosphonic acid, P,P',P''-(1,3,5-triazine-2,4,6-triyltri-4,1-phenylene)tris-
Database identifiers
- CAS
1650593-50-2- PubChem CID
- 122227659
- Nikkaji
- J3.410.642H
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Boiling point
- 973.6 · 973.6±75.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 1.08 · 1.08±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H290
- Precautionary statements
- 501 · P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314-H290
- Precautionary statements
- P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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