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

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

Inquiry

Molecular Formula:

C15H11Cl6N3O2

Molecular Weight:

477.98

CAS Number:

42880-07-9

Catalog Number:

42880-07-9

Product Information

Molecular Formula:

C15H11Cl6N3O2

Molecular Weight:

477.98

Description

2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine, inherently a biochemical compound, plays a pivotal role in the synthesis of avant-garde antiretroviral agents. Derivatives of this compound exhibited remarkable efficacy against both HIV-1 and HIV-2 strains, offering possible potential for HIV therapeutic research.

Synonyms

2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine; 2,4-bis-(Trichloromethyl)-6-(3,4-dimethoxy) styryl-s-triazine

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3

InChI Key

ZJRNXDIVAGHETA-UHFFFAOYSA-N

Boiling Point

532.147ºC at 760 mmHg

Melting Point

190 °C

Purity

>98.0%(LC)(N)

Density

1.578g/cm3

Appearance

Light yellow to Yellow to Orange powder to crystal

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

5.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

476.895293 g/mol

Monoisotopic Mass

474.898243 g/mol

Topological Polar Surface Area

57.1Å²

Heavy Atom Count

Formal Charge

Complexity

463

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

Patents

Publication Number	Title	Priority Date
CN-114144709-A	Polarizing film and method for producing same	2019-07-31
US-2021032539-A1	Container containing polymerizable liquid crystal composition liquid, and method for storing polymerizable liquid crystal composition liquid	2019-07-30
EP-3763801-A1	Quantum dot-containing material, method of preparing the same, and optical member and appapratus including the quantum dot-containing material	2019-07-12
US-2021009893-A1	Quantum dot-containing material, method of preparing the same, and optical member and apparatus including the quantum dot-containing material	2019-07-12
US-2020308325-A1	Composition and method for forming insulating part	2019-03-28
US-2020292939-A1	Photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template and method of manufacturing plated article	2019-03-13
EP-3702387-A1	Photosensitive resin composition, and method for etching glass substrate	2019-02-28
WO-2020162007-A1	Colored curable resin composition	2019-02-08
WO-2020162008-A1	Colored curable resin composition	2019-02-08
WO-2020162009-A1	Colored curable resin composition	2019-02-08

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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