ChemicalBook--->CAS DataBase List--->29133-99-1

29133-99-1

29133-99-1 Structure

29133-99-1 Structure
IdentificationBack Directory
[Name]

4,6-DICHLORO-2,5-DIPHENYLPYRIMIDINE
[CAS]

29133-99-1
[Synonyms]

4,6-DICHLORO-2,5-DIPHENYLPYRIMIDINE
Pyrimidine, 4,6-dichloro-2,5-diphenyl-
4,6-Dichloro-2,5-diphenylpyriMidine 99%
[Molecular Formula]

C16H10Cl2N2
[MDL Number]

MFCD00209572
[MOL File]

29133-99-1.mol
[Molecular Weight]

301.17
Chemical PropertiesBack Directory
[Melting point ]

130-133 °C (lit.)
[Boiling point ]

326.9±42.0 °C(Predicted)
[density ]

1.307±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

-4.98±0.39(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

1S/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H
[InChIKey]

SYZDNTMHIDTVBR-UHFFFAOYSA-N
[SMILES]

Clc1nc(nc(Cl)c1-c2ccccc2)-c3ccccc3
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4,6-Dichloro-2,5-diphenylpyrimidine has been used as a test compound in the systematic quantitative structure-retention relationship (QSRR) studies between experimental chromatographic retention data and molecular descriptors. It may be used as an electrophile in the synthesis of H-chelate containing 2-quinazolylacetonitrile derivatives by reacting with 2-cyanomethylquinazoline.
[General Description]

4,6-Dichloro-2,5-diphenylpyrimidine is a nucleobase derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-DICHLORO-2,5-DIPHENYLPYRIMIDINE(29133-99-1)1HNMR
4,6-DICHLORO-2,5-DIPHENYLPYRIMIDINE(29133-99-1)IR
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