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CAS No.: | 75415-03-1 |
---|---|
Name: | 2-(1H-Pyrazol-3-yl)pyridine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H7N3 |
Molecular Weight: | 145.164 |
Synonyms: | 2-(1H-Pyrazol-3-yl)pyridine;2-(Pyrazol-3-yl)pyridine;3-(2-Pyridyl)-1H-pyrazole;3-(2-Pyridyl)pyrazole;3-(Pyridin-2-yl)-1H-pyrazole;3-(Pyridin-2-yl)pyrazole; |
Density: | 1.214 g/cm3 |
Melting Point: | 119-120 °C |
Boiling Point: | 362.2 °C at 760 mmHg |
Flash Point: | 179.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Irritant:; "> Irritant:; |
PSA: | 41.57000 |
LogP: | 1.47170 |
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The CAS register number of Pyridine,2-(1H-pyrazol-3-yl)- is 75415-03-1. It also can be called as 3-(2-Pyridyl)-1H-pyrazole and the systematic name about this chemical is 2-(1H-pyrazol-5-yl)pyridine. The molecular formula about this chemical is C8H7N3 and the molecular weight is 145.16. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.
Physical properties about Pyridine,2-(1H-pyrazol-3-yl)- are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 42.81; (7)ACD/KOC (pH 7.4): 58.79; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 30.71 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 41.46 cm3; (14)Molar Volume: 119.4 cm3; (15)Polarizability: 16.43x10-24cm3; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.214 g/cm3; (18)Flash Point: 179.2 °C; (19)Enthalpy of Vaporization: 58.42 kJ/mol; (20)Boiling Point: 362.2 °C at 760 mmHg; (21)Vapour Pressure: 4.1E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1c2ccnn2
(2)InChI: InChI=1/C8H7N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H,(H,10,11)
(3)InChIKey: HKEWOTUTAYJWQJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H7N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H,(H,10,11)
(5)Std. InChIKey: HKEWOTUTAYJWQJ-UHFFFAOYSA-N