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| CAS No.: | 748796-39-6 |
|---|---|
| Name: | 5-Chloromethyl-2-(pyrazol-1-yl)pyridine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H8 Cl N3 |
| Molecular Weight: | 193.63 |
| Synonyms: | 5-Chloromethyl-2-(pyrazol-1-yl)pyridine;5-(chloromethyl)-2-(1h-pyrazol-1-yl)pyridine;5-chloromethyl-2-pyrazol-1-yl-pyridine;5-(chloromethyl)-2-(1h-pyrazol-1-yl)pyridine ,97%; |
| Density: | 1.292g/cm3 |
| Boiling Point: | 336.074 °C at 760 mmHg |
| Flash Point: | 157.052 °C |
| Solubility: | Slightly soluble in water. |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 30.71000 |
| LogP: | 2.00610 |
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Specification
The 5-Chloromethyl-2-(pyrazol-1-yl)pyridine with cas registry number of 748796-39-6, is also named 5-(chloromethyl)-2-(1h-pyrazol-1-yl)pyridine ; 5-(chloromethyl)-2-(1h-pyrazol-1-yl)pyridine ,97% .
Physical properties of 5-Chloromethyl-2-(pyrazol-1-yl)pyridine : (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 73; (8)ACD/KOC (pH 7.4): 73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 53.587 cm3; (15)Molar Volume: 149.919 cm3; (16)Polarizability: 21.244×10-24cm3; (17)Surface Tension: 48.059 dyne/cm; (18)Enthalpy of Vaporization: 55.624 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C .
Raw materials of 5-Chloromethyl-2-(pyrazol-1-yl)pyridine is : Tetrahydrofuran-->Thionyl chloride-->Lithium aluminium hydride-->Sodium hydride -->Dimethyl sulfoxide-->Pyrazole-->Methyl 6-chloronicotinate .
You can still convert the following datas into molecular structure: (1)SMILES:ClCc1cnc(cc1)n2cccn2; (2)InChI:InChI=1/C9H8ClN3/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H,6H2; (3)InChIKey:QVDLCABKNWXXQF-UHFFFAOYAX; (4)Std. InChI:InChI=1S/C9H8ClN3/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H,6H2; (5)Std. InChIKey:QVDLCABKNWXXQF-UHFFFAOYSA-N .