1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-

HCID 71059

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Basic information

CAS: 1237-53-2
Standard SMILES: Cc1ccc(-c2nc(Cl)nc(-c3ccc(C)cc3C)n2)c(C)c1
InChIKey: LVWOBZPDFCTAOU-UHFFFAOYSA-N
Molecular formula: C19H18ClN3
Average molar mass: 323.8 g/mol
Monoisotopic mass: 323.11892526

Names & identifiers

Preferred name: 1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
IUPAC: 2-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
English name: 2-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula: C19H18ClN3
Molecular weight: 323.82

Names & synonyms

1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-1237-53-2DTXSID8061636RefChem:412511DTXCID80338032-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine2-chloro-4,6-bis-(2,4-dimethylphenyl)-s-triazineSCHEMBL1245251SCHEMBL29974237NS000036992-chloro-4,6-bis(2,4-dimethylphenyl)-s-triazine4,6-bis-(2,4-dimethylphenyl)-2-chloro-s-triazine

Database identifiers

CAS: 1237-53-2
PubChem CID: 71059
DTXSID: DTXSID8061636
Nikkaji: J1.604.128I

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 357

Physicochemical properties

Melting point: 133.5 · 133.5-134.5 °C(Solv: benzene (71-43-2))
Boiling point: 519.9 · 519.9±60.0 °C(Predicted)
Density: 1.17 · 1.170±0.06 g/cm3(Predicted)
pka: 0.2 · 0.20±0.10(Predicted)
Henry's Law Constant: 1.2 · 1.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA Substance Registry System: 1 · 1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)- (1237-53-2)
TSCA: TSCA listed