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CAS No.: | 175277-95-9 |
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Name: | 2-ETHYL-6-METHYLIODOBENZENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H11I |
Molecular Weight: | 246.091 |
Synonyms: | BUTTPARK 88\11-40;1-ETHYL-2-IODO-3-METHYLBENZENE;2-ETHYL-6-METHYLIODOBENZENE;3-Ethyl-2-iodotoluene;2-Ethyl-6-methyliodobenzene,98% |
Density: | 1.532 g/cm3 |
Melting Point: | 28°C (estimate) |
Boiling Point: | 245 °C at 760 mmHg |
Flash Point: | 107.1 °C |
Appearance: | clear yellow to red-brown liquid |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 3.16200 |
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This chemical is called 1-Ethyl-2-iodo-3-methylbenzene, and it can also be named as Benzene, 1-ethyl-2-iodo-3-methyl-. With the molecular formula of C9H11I, its molecular weight is 246.09. The CAS registry number of this chemical is 175277-95-9. Please avoid contacting with skin and eyes if you use it. Keep this chemical sealed in the cool and dry place, away from oxides.
Other characteristics of the 1-Ethyl-2-iodo-3-methylbenzene can be summarised as followings: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 2203.65; (6)ACD/BCF (pH 7.4): 2203.65; (7)ACD/KOC (pH 5.5): 8602.36; (8)ACD/KOC (pH 7.4): 8602.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 53.53 cm3; (14)Molar Volume: 160.5 cm3; (15)Polarizability: 21.22×10-24cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.532 g/cm3; (18)Flash Point: 107.1 °C; (19)Enthalpy of Vaporization: 46.25 kJ/mol; (20)Boiling Point: 245 °C at 760 mmHg; (21)Vapour Pressure: 0.0462 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Ic1c(cccc1CC)C
2.InChI: InChI=1/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
3.InChIKey: PCSPENCTMKMGFE-UHFFFAOYAG