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| CAS No.: | 95881-83-7 |
|---|---|
| Name: | 3-Chloro-5-methoxypyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H6ClNO |
| Molecular Weight: | 143.57 |
| Synonyms: | 3-Methoxy-5-chloropyridine; |
| Density: | 1.21 g/cm3 |
| Boiling Point: | 198.363 °C at 760 mmHg |
| Flash Point: | 73.767 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 22.12000 |
| LogP: | 1.74360 |
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- Total:29 Page 1 of 1 1
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Specification
The IUPAC name of 3-Chloro-5-methoxypyridine is 3-Chloro-5-methoxypyridine. With the CAS registry number 95881-83-7, it is also named as Pyridine,3-chloro-5-methoxy-. The product's categories are heterocyclic series, pharmacetical and pyridines. In addition, its molecular formula is C6H6ClNO and its molecular weight is 143.57.
The other characteristics of 3-Chloro-5-methoxypyridine can be summarized as: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 352; (8)ACD/KOC (pH 7.4): 352; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 35.918 cm3; (15)Molar Volume: 118.61 cm3; (16)Polarizability: 14.239×10-24cm3; (17)Surface Tension: 37.729 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 73.767 °C; (20)Enthalpy of Vaporization: 41.68 kJ/mol; (21)Boiling Point: 198.363 °C at 760 mmHg; (22)Vapour Pressure: 0.509 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:COc1cncc(Cl)c1
(2)InChI:InChI=1/C6H6ClNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
(3)InChIKey:TXBHLLHHHQAFNN-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C6H6ClNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
(5)Std. InChIKey:TXBHLLHHHQAFNN-UHFFFAOYSA-N