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| CAS No.: | 23003-30-7 |
|---|---|
| Name: | 3-Hydroxy-2-iodo-6-methylpyridine |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C6H6INO |
| Molecular Weight: | 235.024 |
| Synonyms: | 2-Iodo-6-methylpyridin-3-ol;2-iodo-6-methyl-pyridin-3-ol;6-Iodo-2-picolin-5-ol;3-Hydroxy-2-iodo-6-picoline; |
| EINECS: | 245-376-9 |
| Density: | 1.968 g/cm3 |
| Melting Point: | 197-199 °C(lit.) |
| Boiling Point: | 292 °C at 760 mmHg |
| Flash Point: | 130.4 °C |
| Appearance: | Light yellow to yellow powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-24/25 |
| PSA: | 33.12000 |
| LogP: | 1.70020 |
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Specification
The 3-Hydroxy-2-iodo-6-methylpyridine, with the CAS registry number 23003-30-7, is also known as 6-Iodo-2-picolin-5-ol. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Pyridine. Its EINECS number is 245-376-9. This chemical's molecular formula is C6H6INO and molecular weight is 235.02. What's more, its IUPAC name is 2-iodo-6-methylpyridin-3-ol. It should be sealed and stored in a cool and dry place.
Physical properties of 3-Hydroxy-2-iodo-6-methylpyridine are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 30.02; (6)ACD/BCF (pH 7.4): 11.89; (7)ACD/KOC (pH 5.5): 393.2; (8)ACD/KOC (pH 7.4): 155.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 43.95 cm3; (15)Molar Volume: 119.4 cm3; (16)Surface Tension: 58 dyne/cm; (17)Density: 1.967 g/cm3; (18)Flash Point: 130.4 °C; (19)Enthalpy of Vaporization: 55.28 kJ/mol; (20)Boiling Point: 292 °C at 760 mmHg; (21)Vapour Pressure: 0.00108 mmHg at 25°C.
Uses of 3-Hydroxy-2-iodo-6-methylpyridine: it can be used to produce 2-(5-methyl-furo[3,2-b]pyridin-2-yl)-butan-2-ol at the temperature of 25 °C. It will need reagent piperidine and solvent dimethylformamide with the reaction time of 2 hours. This reaction will also need catalyst Pd(OAc)2, CuI. The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=C(C=C1)O)I
(2)InChI: InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
(3)InChIKey: HRZOWBGCOJWHDY-UHFFFAOYSA-N