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| CAS No.: | 10445-91-7 |
|---|---|
| Name: | 4-(Chloromethyl)pyridine |
| Article Data: | 38 |
| Molecular Structure: | |
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| Formula: | C6H6ClN |
| Molecular Weight: | 127.573 |
| Synonyms: | 4-(Chloromethyl)pyridine;4-Picolyl chloride; |
| Density: | 1.156 g/cm3 |
| Melting Point: | 146-147 °C |
| Boiling Point: | 212 °C at 760 mmHg |
| Flash Point: | 102 °C |
| Appearance: | Light yellow liquid |
| PSA: | 12.89000 |
| LogP: | 1.82040 |
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- Total:20 Page 1 of 1 1
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Specification
This chemical is called Pyridine, 4-(chloromethyl)-, and its systematic name is 4-(chloromethyl)pyridine. With the molecular formula of C6H6ClN, its molecular weight is 127.57. The CAS registry number of this chemical is 10445-91-7.
Other characteristics of the Pyridine, 4-(chloromethyl)- can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 3.35; (7)ACD/KOC (pH 5.5): 65.44; (8)ACD/KOC (pH 7.4): 82.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 34.1 cm3; (15)Molar Volume: 110.3 cm3; (16)Polarizability: 13.52×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 102 °C; (20)Enthalpy of Vaporization: 43 kJ/mol; (21)Boiling Point: 212 °C at 760 mmHg; (22)Vapour Pressure: 0.257 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClCc1ccncc1
2.InChI: InChI=1/C6H6ClN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2
3.InChIKey: WZIYCIBURCPKAR-UHFFFAOYAY