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CAS No.: | 766-85-8 |
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Name: | 3-Iodoanisole |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C7H7IO |
Molecular Weight: | 234.036 |
Synonyms: | Anisole,m-iodo- (7CI,8CI);1-Iodo-3-methoxybenzene;3-Iodophenyl methylether;3-Methoxy-1-iodobenzene;3-Methoxyiodobenzene;3-Methoxyphenyl iodide;NSC 60726;m-Iodoanisole;m-Methoxyiodobenzene; |
EINECS: | 212-173-1 |
Density: | 1.727 g/cm3 |
Melting Point: | 94 °C |
Boiling Point: | 245.2 °C at 760 mmHg |
Flash Point: | 102.1 °C |
Solubility: | Soluble in chloroform, alcohol, ether. Insoluble in water. |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36 |
Safety: | 26-24/25 |
PSA: | 9.23000 |
LogP: | 2.29980 |
The Benzene,1-iodo-3-methoxy-, with the CAS registry number 766-85-8, is also known as 3-Iodoanisole. It belongs to the product categories of Aromatic Ethers; Anisole; API Intermediates; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 212-173-1. This chemical's molecular formula is C7H7IO and formula weight is 234.03. What's more, its IUPAC name is 1-iodo-3-methoxybenzene.
Physical properties of Benzene,1-iodo-3-methoxy- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.591; (7)Molar Refractivity: 45.83 cm3; (8)Molar Volume: 135.5 cm3; (9)Surface Tension: 39.4 dyne/cm; (10)Density: 1.727 g/cm3; (11)Flash Point: 102.1 °C; (12)Enthalpy of Vaporization: 46.28 kJ/mol; (13)Boiling Point: 245.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0455 mmHg at 25°C.
Preparation of Benzene,1-iodo-3-methoxy-: this chemical can be prepared by 3-methoxy-aniline with other condition of Diazotization.Einfliessenlassen der Diazoniumsalzloesung in Jodwasserstoffsaeure.
Uses of Benzene,1-iodo-3-methoxy-: it can be used to produce 3,3'-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 57%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to eyes. You should avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC=C1)I
(2)InChI: InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(3)InChIKey: RSHBAGGASAJQCH-UHFFFAOYSA-N