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| CAS No.: | 529-28-2 |
|---|---|
| Name: | 2-Iodoanisole |
| Article Data: | 81 |
| Molecular Structure: | |
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| Formula: | C7H7IO |
| Molecular Weight: | 234.036 |
| Synonyms: | Anisole,o-iodo- (7CI,8CI);1-Iodo-2-methoxybenzene;2-Iodophenyl methylether;2-Methoxy-1-iodobenzene;2-Methoxyiodobenzene;2-Methoxyphenyl iodide;NSC 9259;o-Anisyl iodide;o-Iodoanisole;o-Iodomethoxybenzene;o-Methoxyiodobenzene;o-Methoxyphenyl iodide; |
| EINECS: | 208-456-4 |
| Density: | 1.799 g/cm3 |
| Melting Point: | 8-10oC |
| Boiling Point: | 244.9 °C at 760 mmHg |
| Flash Point: | 98.5 °C |
| Solubility: | insoluble in water |
| Appearance: | slight clear yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 9.23000 |
| LogP: | 2.29980 |
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Specification
The 2-Iodoanisole, with the CAS registry number 529-28-2, is also known as o-Anisyl iodide. It belongs to the product categories of Aromatic Ethers; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds. Its EINECS registry number is 208-456-4. This chemical's molecular formula is C7H7IO and molecular weight is 234.03435. Its IUPAC name is called 1-iodo-2-methoxybenzene. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 2-Iodoanisole: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 182.48; (5)ACD/BCF (pH 7.4): 182.48; (6)ACD/KOC (pH 5.5): 1446.04; (7)ACD/KOC (pH 7.4): 1446.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 45.83 cm3; (12)Molar Volume: 135.5 cm3; (13)Surface Tension: 39.4 dyne/cm; (14)Density: 1.727 g/cm3; (15)Flash Point: 98.5 °C; (16)Enthalpy of Vaporization: 46.24 kJ/mol; (17)Boiling Point: 244.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0464 mmHg at 25°C.
Preparation of 2-Iodoanisole: this chemical can be prepared by 1-bromo-2-methoxy-benzene. This reaction will need reagent KI and various solvents. The reaction time is 1 hour with reaction temperature of 90 °C.
Uses of 2-Iodoanisole: it can be used to produce 2,2'-Dimethoxy-biphenyl at temperature of 20 °C. This reaction is a kind of Ullmann-type reductive coupling reaction. It will need reagent 18-crown-6 zinc powd. and solvent H2O. The yield is about 40%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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: COC1=CC=CC=C1I
(2)InChI: InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
(3)InChIKey: DVQWNQBEUKXONL-UHFFFAOYSA-N