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| CAS No.: | 61889-48-3 |
|---|---|
| Name: | 3-(2-Chloroacetyl)pyridine hydrochloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H6ClNO |
| Molecular Weight: | 192.045 |
| Synonyms: | 3-(2-Chloroacetyl)pyridine hydrochloride;Ketone, chloromethyl-3-pyridyl, hydrochloride;Nsc77639; |
| Density: | 1.238 g/cm3 |
| Melting Point: | 245-250 °C (decomp) |
| Boiling Point: | 272.4 °C at 760 mmHg |
| Flash Point: | 118.5 °C |
| PSA: | 29.96000 |
| LogP: | 2.30510 |
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- Total:34 Page 1 of 1 1
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Specification
The Ethanone,2-chloro-1-(3-pyridinyl)-, hydrochloride (1:1), with the CAS registry number 61889-48-3, is also known as Ketone, chloromethyl-3-pyridyl, hydrochloride. This chemical's molecular formula is C7H6ClNO and molecular weight is 155.58. What's more, its systematic name is 2-Chloro-1-(pyridin-3-yl)ethanone.
Physical properties of Ethanone,2-chloro-1-(3-pyridinyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 39.22 cm3; (9)Molar Volume: 125.5 cm3; (10)Polarizability: 15.54×10-24cm3; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.238 g/cm3; (13)Flash Point: 118.5 °C; (14)Enthalpy of Vaporization: 51.07 kJ/mol; (15)Boiling Point: 272.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00609 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1)CCl
(2)Std. InChI: InChI=1S/C7H6ClNO/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5H,4H2
(3)Std. InChIKey: RVOFYCMAWQUUEI-UHFFFAOYSA-N