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About This Item
Empirical Formula (Hill Notation):
C16H10Cl2N2
CAS Number:
Molecular Weight:
301.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
mp
130-133 °C (lit.)
SMILES string
Clc1nc(nc(Cl)c1-c2ccccc2)-c3ccccc3
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
InChI key
SYZDNTMHIDTVBR-UHFFFAOYSA-N
General description
4,6-Dichloro-2,5-diphenylpyrimidine is a nucleobase derivative.
Application
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Find documentation for the products that you have recently purchased in the Document Library.
Synthesis of new 2-quinazolylacetonitrile derivatives.
Kim JH and Min KS.
J. Korean Chem. Soc., 45(6), 532-537 (2001)
Multivariate Chemometric Study on the Interfacial Properties of Nucleic-Acid Bases.
Luo HB, et al.
Journal of Data Science, 1(4), 447-460 (2003)
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