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2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Inquiry

Molecular Formula:

C14H9Cl6N3O

Molecular Weight:

447.96

CAS Number:

42573-57-9

Catalog Number:

42573-57-9

Product Information

Molecular Formula:

C14H9Cl6N3O

Molecular Weight:

447.96

Description

Cationic photoinitiator. Nonionic photoacid generator.

Synonyms

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine; 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

IUPAC Name

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Canonical SMILES

COC1=CC=C(C=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+

InChI Key

MCNPOZMLKGDJGP-QPJJXVBHSA-N

Boiling Point

511.4 °C at 760 mmHg

Melting Point

192-195 °C

Purity

98 %

Density

1.605 g/cm³

Appearance

Light yellow to amber to dark green powder to crystal

Application

Cationic photoinitiator.

LogP

5.70400

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

5.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

446.884728 g/mol

Monoisotopic Mass

444.887678 g/mol

Topological Polar Surface Area

47.9Å²

Heavy Atom Count

Formal Charge

Complexity

409

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

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2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Product Information

Safety Information

Computed Properties

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