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Basic Information
CAS No.: 36912-83-1
Name: 1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE
Molecular Structure:
Molecular Structure of 36912-83-1 (1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE)
Formula: C12H10N2O
Molecular Weight: 198.224
Synonyms: 4-(Phenylcarbonylmethyl)pyrimidine;1-Phenyl-2-pyrimidin-4-ylethanone;
Density: 1.179 g/cm3
Melting Point: 91-93 °C
Boiling Point: 355.4 °C at 760 mmHg
Flash Point: 172.7 °C
PSA: 42.85000
LogP: 1.90200
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Specification

The Ethanone,1-phenyl-2-(4-pyrimidinyl)-, with the CAS registry number 36912-83-1, is also known as 4-(Phenylcarbonylmethyl)pyrimidine. It belongs to the product categories of Aromatics Compounds; Aromatics; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C12H10N2O and molecular weight is 198.22. What's more, its systematic name is 1-phenyl-2-pyrimidin-4-ylethanone. 

Physical properties of Ethanone,1-phenyl-2-(4-pyrimidinyl)- are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.27; (8)ACD/KOC (pH 7.4): 52.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 56.95 cm3; (15)Molar Volume: 168.1 cm3; (16)Polarizability: 22.57×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 172.7 °C; (20)Enthalpy of Vaporization: 60.06 kJ/mol; (21)Boiling Point: 355.4 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-05 mmHg at 25°C.

Uses of Ethanone,1-phenyl-2-(4-pyrimidinyl)-: it can be used to produce 2-bromo-2-(4-pyrimidinyl)-1-phenyl-1-ethanone at the temperature of 20 °C. It will need reagents fused sodium acetate, bromine and solvent acetic acid with the reaction time of 1 hour. The yield is about 70%.

Ethanone,1-phenyl-2-(4-pyrimidinyl)- can be used to produce 2-bromo-2-(4-pyrimidinyl)-1-phenyl-1-ethanone at the temperature of 20 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)CC2=NC=NC=C2
(2)InChI: InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9H,8H2
(3)InChIKey: BJDUPABHTHYHEX-UHFFFAOYSA-N