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CAS No.: | 6484-25-9 |
---|---|
Name: | 4-CHLORO-2-PHENYLQUINAZOLINE |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C14H9ClN2 |
Molecular Weight: | 240.692 |
Synonyms: | 2-Phenyl-4-chloroquinazoline;4-Chloro-2-phenyl-quinazoline;4-Chloro-2-phenylquinazoline; |
EINECS: | 229-346-2 |
Density: | 1.285 g/cm3 |
Melting Point: | 124-126 °C(lit.) |
Boiling Point: | 301.218 °C at 760 mmHg |
Flash Point: | 164.36 °C |
Appearance: | slightly yellow to yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 25.78000 |
LogP: | 3.95020 |
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The Quinazoline,4-chloro-2-phenyl-, with the CAS registry number 6484-25-9, is also known as 4-Chloro-2-phenyl-quinazoline. Its EINECS registry number is 229-346-2. This chemical's molecular formula is C14H9ClN2 and molecular weight is 240.69. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloro-2-phenylquinazoline. It should be stored in a cool, dry and well-ventilated place.
Physical properties about Quinazoline,4-chloro-2-phenyl- are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1469.58; (6)ACD/BCF (pH 7.4): 1469.60; (7)ACD/KOC (pH 5.5): 6436.85; (8)ACD/KOC (pH 7.4): 6436.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 69.765 cm3; (15)Molar Volume: 187.232 cm3; (16)Polarizability: 27.657×10-24cm3; (17)Surface Tension: 54.461 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 164.36 °C; (20)Enthalpy of Vaporization: 51.97 kJ/mol; (21)Boiling Point: 301.218 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
Preparation of Quinazoline,4-chloro-2-phenyl-: this chemical can be prepared by 2-phenyl-3H-quinazolin-4-one. This reaction needs reagents POCl3 and PCl5 at temperature of 130 °C.
Uses of Quinazoline,4-chloro-2-phenyl-: it is used to produce other chemicals. For example, it can react with furfural to get furan-2-yl-(2-phenyl-quinazolin-4-yl)-methanone. The reaction occurs with reagents 1,3-dimethylbenzimidazolium iodide, NaH and solvent dimethylformamide at temperature of 80 °C. The reaction time is 10 min. The yield is 67 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(nc1c2cccc1)c3ccccc3
(2) InChI: InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H
(3) InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N