4-Phenylpyrimidine

The Pyrimidine, 4-phenyl-, with the CAS registry number 3438-48-0, is also known as 6-Phenylpyrimidine. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS registry number is 222-345-8. This chemical's molecular formula is C₁₀H₈N₂ and molecular weight is 156.19. Its IUPAC name is called 4-phenylpyrimidine. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of Pyrimidine, 4-phenyl-: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 16.95; (5)ACD/BCF (pH 7.4): 16.95; (6)ACD/KOC (pH 5.5): 263.89; (7)ACD/KOC (pH 7.4): 263.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 47.02 cm³; (12)Molar Volume: 141.1 cm³; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.106 g/cm³; (15)Flash Point: 140.1 °C; (16)Enthalpy of Vaporization: 51.46 kJ/mol; (17)Boiling Point: 296.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00256 mmHg at 25°C.

Preparation of Pyrimidine, 4-phenyl-: this chemical can be prepared by [1,3,5]triazine and 1-(1-phenyl-vinyl)-pyrrolidine. This reaction will need solvent dioxane. The reaction time is 24 hours with reaction temperature of 90 °C. The yield is about 80%.

Uses of Pyrimidine, 4-phenyl-: it can be used to produce 6-phenyl-4-(2-pyridyl)-1,4-dihydropyrimidine with pyridin-2-yl-lithium at temperature of -40 °C. This reaction will need solvent diethyl ether with reaction time of 15 min. The yield is about 53%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC=NC=C2
(2)InChI: InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
(3)InChIKey: MKLQPIYLZMLAER-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12247,