Name: 4-Benzyl-2,6-dichloropyrimidine
SKU: 796095-89-1

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Basic Information

Molecular Structure:
CAS No.:	796095-89-1
Name:	4-Benzyl-2,6-dichloropyrimidine
Article Data:	6

Formula:	C₁₁H₈Cl₂N₂
Molecular Weight:	239.104
Synonyms:	Pyrimidine, 2,4-dichloro-6-(phenylmethyl)-;
Density:	1.334 g/cm³
Boiling Point:	351.467 °C at 760 mmHg
Flash Point:	197.379 °C

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Specification

The CAS registry number of 4-Benzyl-2,6-dichloropyrimidine is 796095-89-1. This chemical is also known as Pyrimidine, 2,4-dichloro-6-(phenylmethyl)-. Its molecular formula is C₁₁H₈Cl₂N₂ and molecular weight is 239.1006.

Physical properties about the 4-Benzyl-2,6-dichloropyrimidine are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.734; (6)ACD/BCF (pH 7.4): 58.734; (7)ACD/KOC (pH 5.5): 642.366; (8)ACD/KOC (pH 7.4): 642.366; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 61.54 cm³; (15)Molar Volume: 179.184 cm³; (16)Surface Tension: 50.794 dyne/cm; (17)Density: 1.334 g/cm³; (18)Flash Point: 197.379 °C; (19)Enthalpy of Vaporization: 57.264 kJ/mol; (20)Boiling Point: 351.467 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)Cc2cc(nc(n2)Cl)Cl
(2) InChI: InChI=1/C11H8Cl2N2/c12-10-7-9(14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
(3) InChIKey: LIGZTXSHXRNYKM-UHFFFAOYAZ