CAS No.152121-53-4,PD 169316 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	152121-53-4
Name:	PD 169316
Article Data:	2

Formula:	C₂₀H₁₃FN₄O₂
Molecular Weight:	360.347
Synonyms:	PD-169316;
EINECS:	200-256-5
Density:	1.345 g/cm³
Boiling Point:	583.1 °C at 760 mmHg
Flash Point:	306.4 °C
Appearance:	Light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41
Safety:	26-39
Transport Information:	UN 2811 6.1/PG 3
PSA:	87.39000
LogP:	5.37620

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Specification

The Pyridine, 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]-, with the CAS registry number 152121-53-4, is also known as PD 169316. This chemical's molecular formula is C₂₀H₁₃FN₄O₂ and molecular weight is 360.341223. Its IUPAC name is called 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine.

Physical properties of Pyridine, 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]-: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 232.28; (5)ACD/BCF (pH 7.4): 243.94; (6)ACD/KOC (pH 5.5): 1693.85; (7)ACD/KOC (pH 7.4): 1778.93; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 97.18 cm³; (13)Molar Volume: 266.1 cm³; (14)Surface Tension: 59.1 dyne/cm; (15)Density: 1.354 g/cm³; (16)Flash Point: 306.4 °C; (17)Enthalpy of Vaporization: 83.93 kJ/mol; (18)Boiling Point: 583.1 °C at 760 mmHg; (19)Vapour Pressure: 5.66E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation and 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 eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c4ccc(c1nc(c(n1)c2ccncc2)c3ccc(F)cc3)cc4
(2)InChI: InChI=1/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
(3)InChIKey: BGIYKDUASORTBB-UHFFFAOYAN