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| CAS No.: | 60899-33-4 |
|---|---|
| Name: | 4-Iodo-1-Indanone |
| Molecular Structure: | |
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| Formula: | C9H7IO |
| Molecular Weight: | 258.05575 |
| Synonyms: | 4-Iodo-1-Indanone;2,3-dihydro-4-iodoinden-1-one;2,3-Dihydro-4-iodo-1H-inden-1-one;1H-Inden-1-one, 2,3-dihydro-4-iodo-;4-Iodo-2,3-dihydro-1-indenone |
| Density: | 1.882 g/cm3 |
| Melting Point: | 153-158℃ |
| Boiling Point: | 325 °C at 760 mmHg |
| Flash Point: | 150.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-43-52/53 |
| Safety: | 36/37-61 |
| PSA: | 17.07000 |
| LogP: | 2.42010 |
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Specification
The 1H-Inden-1-one,2,3-dihydro-4-iodo-, with CAS registry number 60899-33-4, has the systematic name of 4-iodo-2,3-dihydro-1H-inden-1-one. Besides this, it is also called 4-iodoindan-1-one. And the chemical formula of this chemical is C9H7IO.
Physical properties of 1H-Inden-1-one,2,3-dihydro-4-iodo-: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.08; (6)ACD/BCF (pH 7.4): 141.08; (7)ACD/KOC (pH 5.5): 1202.79; (8)ACD/KOC (pH 7.4): 1202.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 51.46 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 20.4×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.882 g/cm3; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 56.71 kJ/mol; (21)Boiling Point: 325 °C at 760 mmHg; (22)Vapour Pressure: 0.000237 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2cccc1c2CCC1=O
(2)InChI: InChI=1/C9H7IO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
(3)InChIKey: ULAUMFDMSJNKHA-UHFFFAOYAR