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| CAS No.: | 627-32-7 |
|---|---|
| Name: | 3-Iodopropanol |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7IO |
| Molecular Weight: | 185.992 |
| Synonyms: | 1-Hydroxy-3-iodopropane;1-Iodo-3-propanol;3-Iodo-1-propanol;3-Iodopropanol; |
| EINECS: | 210-995-5 |
| Density: | 1.942 g/cm3 |
| Boiling Point: | 200.9 °C at 760 mmHg |
| Flash Point: | 75.3 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 0.80380 |
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Specification
The 3-Iodopropanol, with the CAS registry number 627-32-7, is also known as 3-Iodo-1-propanol. It belongs to the product categories of Pharmaceutical intermediate; Alcohols; C2 to C6; Oxygen Compounds. Its EINECS registry number is 210-995-5. This chemical's molecular formula is C3H7IO and molecular weight is 185.99. Its IUPAC name is called 3-iodopropan-1-ol.
Physical properties of 3-Iodopropanol: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.95; (6)ACD/BCF (pH 7.4): 2.95; (7)ACD/KOC (pH 5.5): 75.58; (8)ACD/KOC (pH 7.4): 75.58; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 30.45 cm3; (14)Molar Volume: 94.3 cm3; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.97 g/cm3; (17)Flash Point: 75.3 °C; (18)Enthalpy of Vaporization: 50.85 kJ/mol; (19)Boiling Point: 200.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0784 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-chloro-propan-1-ol. This reaction will need reagent acetone, sodium iodide.
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Uses of 3-Iodopropanol: it can be used to produce 1-iodo-3-(tetrahydropyran-2-yloxy)propane at ambient temperature. This reaction will need reagent pyridinium p-toluenesulfonate and solvent CH2Cl2 with reaction time of 16 hours. The yield is about 74%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CO)CI
(2)InChI: InChI=1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2
(3)InChIKey: CQVWOJSAGPFDQL-UHFFFAOYSA-N