2-(3,4-METHYLENEDIOXYPHENYL)-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE

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Product Information

Molecular Formula:
C12H5Cl6N3O2
Molecular Weight:
435.9
Description
2-(3,4-METHYLENEDIOXYPHENYL)-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE is a triazine compound that has wide applications in the biomedical field. Its remarkable bioactive characteristics enable it to effectively treat tumor diseases and diseases caused by pathogens. This extraordinary compound, which has trichloromethyl and methylenedioxyphenyl moieties, has powerful antitumor and antimicrobial capabilities.
Synonyms
2-(3,4-METHYLENEDIOXYPHENYL)-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE; 3,5-Triazine,2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1; 2-(2H-1,3-BENZODIOXOL-5-YL)-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE; 1,3,5-Triazine, 2-(1,3-benzodioxol-5-yl)-4,6-bis(tri
IUPAC Name
2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C12H5Cl6N3O2/c13-11(14,15)9-19-8(20-10(21-9)12(16,17)18)5-1-2-6-7(3-5)23-4-22-6/h1-3H,4H2
InChI Key
BFQFFNWLTHFJOZ-UHFFFAOYSA-N
Melting Point
135 °C
Purity
>98.0%(GC)
Appearance
White to Light yellow powder to crystal

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H341:
Suspected of causing genetic defects.
Precautionary Statement
P201:
Obtain special instructions before use.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
434.848342 g/mol
Monoisotopic Mass
432.851293 g/mol
Topological Polar Surface Area
57.1Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
410
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

Publication Number Title Priority Date
JP-2022037181-A A method for producing a chemically amplified photosensitive composition, a photosensitive dry film, and a method for producing a patterned resist film. 2021-12-22
CN-114149530-A Alkali-soluble polymer for preparing LDI dry film and preparation method thereof 2021-09-23
CN-112731765-A Fluorine-containing resin composition, preparation method thereof and preparation method of cured film containing fluorine-containing resin composition 2020-12-30
EP-3968343-A2 Bio-electrode composition, bio-electrode, method for manufacturing bio-electrode, and silicon material particle 2020-09-15
US-2022079461-A1 Bio-electrode composition, bio-electrode, method for manufacturing bio-electrode, and silicon material particle 2020-09-15
EP-3961676-A1 Etching method and photosensitive resin composition 2020-08-26
JP-2022038484-A Etching method and photosensitive resin composition 2020-08-26
WO-2022045794-A1 Composition for forming artificial tooth, method for manufacturing artificial tooth, and artificial tooth manufactured by same method 2020-08-26
WO-2022045796-A1 Composition for forming clear orthodontic appliance, method for manufacturing clear orthodontic appliance, and clear orthodontic appliance manufactured by method 2020-08-26
WO-2022030163-A1 Chemically amplified photosensitive composition, photosensitive dry film, method for producing substrate with plating mold, and method for producing plated shaped article 2020-08-04
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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