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Basic Information
CAS No.: 2915-16-4
Name: 2-Chloro-4,6-diphenylpyrimidine
Article Data: 43
Molecular Structure:
Molecular Structure of 2915-16-4 (2-Chloro-4,6-diphenylpyrimidine)
Formula: C16H11ClN2
Molecular Weight: 266.73
Synonyms: 2-Chloro-4,6-diphenylpyrimidine;
Density: 1.221 g/cm3
Melting Point: 113.0 to 117.0 °C
Boiling Point: 469.1 °C at 760 mmHg
Flash Point: 269.8 °C
PSA: 25.78000
LogP: 4.46400
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  • 2-Chloro-4,6-diphenylpyrimidine CAS No.2915-16-4

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Specification

1. Introduction of 2-Chloro-4,6-diphenylpyrimidine

The 2-Chloro-4,6-diphenylpyrimidine, with its cas register number 2-Chloro-4,6-diphenylpyrimidine, is a kind of Clear colourless liquid.It also can be called as Cyclopropanoicacid methyl ester;Methylcyclopropylcarboxylate and Methyl cyclopropane carboxylate. 2-Chloro-4,6-diphenylpyrimidine should be stored in shady and cool warehouse.

2.Physical properties about 2-Chloro-4,6-diphenylpyrimidine

(1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 855.62; (5)ACD/BCF (pH 7.4): 855.62; (6)ACD/KOC (pH 5.5): 4370.45; (7)ACD/KOC (pH 7.4): 4370.45; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 25.78Å2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 76.51 cm3; (13)Molar Volume: 218.4 cm3; (14)Polarizability: 30.33x10-24cm3; (15)Surface Tension: 49.1 dyne/cm; (16)Enthalpy of Vaporization: 70.34 kJ/mol; (17)Vapour Pressure: 1.59E-08 mmHg at 25°C.

3. Structure descriptors of 2-Chloro-4,6-diphenylpyrimidine

(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=CC=CC=C3
(2)InChI: InChI=1S/C16H11ClN2/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
(3)InChIKey: QNGVEVOZKYHNGL-UHFFFAOYSA-N