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| CAS No.: | 321535-23-3 |
|---|---|
| Name: | 6-Iodo-2,3-dimethoxypyridine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H8INO2 |
| Molecular Weight: | 265.051 |
| Synonyms: | 6-IODO-2,3-DIMETHOXYPYRIDINE |
| EINECS: | 200-258-5 |
| Density: | 1.735 g/cm3 |
| Boiling Point: | 274.7 °C at 760 mmHg |
| Flash Point: | 119.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 31.35000 |
| LogP: | 1.70340 |
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Specification
With the CAS registry number 321535-23-3, this chemical's systematic name is 6-Iodo-2,3-dimethoxypyridine. What's more, its molecular formula is C7H8INO2 and molecular weight is 265.05.
Physical properties of 6-Iodo-2,3-dimethoxypyridine are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 31.35 Å2; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 50.6 cm3; (11)Molar Volume: 152.7 cm3; (12)Polarizability: 20.06×10-24 cm3; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 1.735 g/cm3; (15)Flash Point: 119.9 °C; (16)Enthalpy of Vaporization: 49.25 kJ/mol; (17)Boiling Point: 274.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00892 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(N=C(C=C1)I)OC
(2)InChI: InChI=1S/C7H8INO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
(3)InChIKey: FTFRZLORDYKKMJ-UHFFFAOYSA-N