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| CAS No.: | 75581-11-2 |
|---|---|
| Name: | 5-IODO-2-METHOXYTOLUENE |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C8H9IO |
| Molecular Weight: | 248.063 |
| Synonyms: | 4-Iodo-1-methoxy-2-methylbenzene;4-Iodo-2-methyl-1-methoxybenzene;4-Iodo-2-methylanisole;4-Methoxy-3-methyliodobenzene;5-Iodo-2-methoxytoluene; |
| Density: | 1.634 g/cm3 |
| Melting Point: | 75-76 °C(Solv: acetic acid (64-19-7)) |
| Boiling Point: | 247.7 °C at 760 mmHg |
| Flash Point: | 103.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 9.23000 |
| LogP: | 2.60820 |
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- Total:27 Page 1 of 1 1
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Specification
The 4-Iodo-2-methylanisole with the CAS number 75581-11-2 is also called Benzene,4-iodo-1-methoxy-2-methyl-. The systematic name is 4-iodo-1-methoxy-2-methylbenzene. Its molecular formula is C8H9IO. This chemical belongs to the following product categories: (1)Aromatic Ethers; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Iodine Compounds.
The properties of the 4-Iodo-2-methylanisole are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 50.66 cm3; (9)Molar Volume: 151.7 cm3; (10)Polarizability: 20.08×10-24cm3; (11)Surface Tension: 38.1 dyne/cm; (12)Enthalpy of Vaporization: 46.53 kJ/mol; (13)Vapour Pressure: 0.0397 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(OC)c(c1)C
(2)InChI: InChI=1/C8H9IO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
(3)InChIKey: FKBRRGQXYZMUNC-UHFFFAOYAS