2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine CAS#: 3584-23-4; ChemWhat Code: 325848

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC Name2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Molecular Structure2-4-Methoxyphenyl-46-bistrichloromethyl-135-triazine-CAS-3584-23-4
CAS Registry Number 3584-23-4
MDL NumberMFCD00521486
Synonyms2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
3584-23-4
4,6-Bis(trichloromethyl)-2-(4-methoxyphenyl)-1,3,5-triazine
EINECS 222-711-7
SCHEMBL36116
DTXSID90189373
1,3,5-Triazine, 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-
AMY18366
Methoxyphenylbistrichloromethyltriazine
MFCD00521486
AKOS000523113
AS-70775
CS-0207260
M1245
NS00029926
A822995
W-106652
2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5triazine
Molecular FormulaC12H7Cl6N3O 
Molecular Weight421.9
InChIInChI=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 KeyQRHHZFRCJDAUNA-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Patent Information
Patent IDTitlePublication Date
EP2719683POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC BODY2014
US5929271Compounds for use in a positive-working resist composition1999

Physical Data

No data available

Melting Point, °C
143 – 144
144 – 145

Spectra

Description (UV/VIS Spectroscopy)
Absorption maxima

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine CAS 3584-23-4
Route of Synthesis (ROS) of 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine CAS 3584-23-4
ConditionsYield
With ethyl p-dimethyaminolbenzoate In acetonitrile Kinetics; Quantum yield; UV-irradiation;

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement CodesP264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

No data available

Druglikeness
Lipinski rules component
Molecular Weight421.925
logP3.693
HBA3
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)47.9
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine can be used as an intermediate in the synthesis of other chemicals.

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