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Name |
Benzene,4-iodo-2-methoxy-1-methyl- |
EINECS | N/A |
CAS No. | 220728-62-1 | Density | 1.634 g/cm3 |
PSA | 9.23000 | LogP | 2.60820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9IO | Boiling Point | 255.2 °C at 760 mmHg |
Molecular Weight | 248.063 | Flash Point | 108.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Iodo-2-methylanisole;2-Methoxy-4-iodotoluene; |
Article Data | 2 |
The Benzene, 4-iodo-2-methoxy-1-methyl-, with the CAS registry number 220728-62-1, is also known as 4-Iodo-2-methoxytoluene. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C8H9IO and molecular weight is 248.0609. What's more, its systematic name is 4-Iodo-2-methoxy-1-methylbenzene.
Physical properties about Benzene, 4-iodo-2-methoxy-1-methyl- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 228.62; (6)ACD/BCF (pH 7.4): 228.62; (7)ACD/KOC (pH 5.5): 1699.26; (8)ACD/KOC (pH 7.4): 1699.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 50.66 cm3; (15)Molar Volume: 151.7 cm3; (16)Polarizability: 20.08×10-24 cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.634 g/cm3; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 47.28 kJ/mol; (21)Boiling Point: 255.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0264 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(OC)c(cc1)C
(2) InChI: InChI=1/C8H9IO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(3) InChIKey: JVKISKVALBFNFA-UHFFFAOYAZ