2-(4,6-bis-(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)-phenol

Product Information

Molecular Formula:
C33H39N3O2
Molecular Weight:
509.68166
Description
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol is an aromatic ether.
Synonyms
2725-22-6; 2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)phenol; UltravioletAbsorbentUV-1164; UNII-LO7K59NM8V; LO7K59NM8V; 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol
IUPAC Name
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
Canonical SMILES
CCCCCCCCOC1=CC(=O)C(=C2N=C(NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)C=C1
InChI
InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21H,6-11,18H2,1-5H3,(H,34,35,36)
InChI Key
FJLRFPXKMBEERQ-UHFFFAOYSA-N
Boiling Point
695.242ºC at 760 mmHg
Melting Point
88-91ºC
Purity
95%
Density
1.089 g/cm3
Solubility
0.0003318 mg/L at 25 °C (est)
Appearance
light yellow powder

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
9.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
11
Exact Mass
509.30422750 g/mol
Monoisotopic Mass
509.30422750 g/mol
Topological Polar Surface Area
68.1Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
643
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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