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Pyrimidine, 4-phenyl-

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Name

Pyrimidine, 4-phenyl-

EINECS 222-345-8
CAS No. 3438-48-0 Density 1.106 g/cm3
PSA 25.78000 LogP 2.14360
Solubility N/A Melting Point 98-100 °C(lit.)
Formula C10H8N2 Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 156.187 Flash Point 140.1 °C
Transport Information N/A Appearance light yellow crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3438-48-0 (4-Phenylpyrimidine) Hazard Symbols IrritantXi
Synonyms

4-Phenylpyrimidine;6-Phenylpyrimidine;NSC 84249;

Article Data 62

Pyrimidine, 4-phenyl- Specification

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%.

Pyrimidine, 4-phenyl- can be prepared by [1,3,5]triazine and 1-(1-phenyl-vinyl)-pyrrolidine

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%.

Pyrimidine, 4-phenyl- can be used to produce 6-phenyl-4-(2-pyridyl)-1,4-dihydropyrimidine with pyridin-2-yl-lithium

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,

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