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Name |
Benzonitrile,4-iodo-2-methoxy- |
EINECS | N/A |
CAS No. | 677777-44-5 | Density | 1.82 g/cm3 |
PSA | 33.02000 | LogP | 2.17148 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6INO | Boiling Point | 316.5 °C at 760 mmHg |
Molecular Weight | 259.046 | Flash Point | 145.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Iodo-2-methoxybenzonitrile; |
Article Data | 2 |
The Benzonitrile,4-iodo-2-methoxy-, with the CAS registry number 677777-44-5, is also known as 5-Iodo-2-methoxybenzenecarbonitrile. It belongs to the product categories of Nitrile; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Nitriles. This chemical's molecular formula is C8H6INO and molecular weight is 259.0438. Its systematic name is called 5-iodo-2-methoxy-benzonitrile.
Physical properties of Benzonitrile,4-iodo-2-methoxy-: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.63; (7)Molar Refractivity: 50.6 cm3; (8)Molar Volume: 142.2 cm3; (9)Surface Tension: 54 dyne/cm; (10)Density: 1.82 g/cm3; (11)Flash Point: 145.2 °C; (12)Enthalpy of Vaporization: 55.78 kJ/mol; (13)Boiling Point: 316.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00041 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1C#N)I
(2)InChI: InChI=1/C8H6INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
(3)InChIKey: LKHLIOQZTDZHJU-UHFFFAOYAO