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

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Product Information

Molecular Formula:
C12H7Cl6N3O
Molecular Weight:
421.92100
Description
2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is a formidable and discriminative inhibitor extensively employed within the biomedical sector. Through its distinctive chemical attributes, it proficiently targets discrete molecular cascades intricately associated with the advancement of ailments encompassing neoplasms, inflammatory processes, and autoimmune maladies.
Synonyms
4,6-Bis(trichloromethyl)-2-(4-methoxyphenyl)-1,3,5-triazine
IUPAC Name
2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Canonical SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChI Key
QRHHZFRCJDAUNA-UHFFFAOYSA-N
Boiling Point
462.2ºC at 760mmHg
Melting Point
145ºC
Purity
95%
Density
1.616g/cm3
Appearance
Light orange to Yellow to Green 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
4.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
420.869078 g/mol
Monoisotopic Mass
418.872028 g/mol
Topological Polar Surface Area
47.9Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
345
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-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
CN-113913075-A Anti-reflective coating composition and crosslinkable polymer 2021-10-25
CN-114011105-A Purification method of packaging ink composition 2021-10-19
CN-114015277-A Ink composition for OLED packaging and application thereof 2021-10-19
CN-114163564-A Film-forming resin containing cholic acid-butenoate derivative and photoresist composition 2021-10-19
CN-114149530-A Alkali-soluble polymer for preparing LDI dry film and preparation method thereof 2021-09-23
JP-2022008395-A Red coloring composition for organic EL display device, color filter for organic EL display device and organic EL display device 2021-09-14
CN-113801260-A Compound for film packaging, photocuring composition and film packaging layer 2021-08-04
KR-102367520-B1 Semiconductor nanoparticle-ligand composite, manufacturing method of thereof, photosensitive resin composition, optical film, electroluminescent diode and electronic device 2021-07-15
CN-113603614-A Compound, compound formed by compound, application and display panel 2021-07-09

Literatures

PMID Publication Date Title Journal
1176 1975-12-01 Circadian variations of hormonal content in the nervous system of the crayfish Comparative biochemistry and physiology. A, Comparative physiology
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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