2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
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
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
462.2°C at 760mmHg
Melting Point
145°C
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.
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].
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 |
