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| CAS No.: | 511533-38-3 |
|---|---|
| Name: | 5-Iodo-1-Indanone |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H7IO |
| Molecular Weight: | 258.058 |
| Synonyms: | 5-iodoindan-1-one;1H-inden-1-one, 2,3-dihydro-5-iodo-;5-Iodindan-1-on;5-Iodo-2,3-dihydro-1H-inden-1-one; |
| EINECS: | 604-604-1 |
| Density: | 1.882 g/cm3 |
| Boiling Point: | 325.8 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| PSA: | 17.07000 |
| LogP: | 2.42010 |
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Specification
The 1H-Inden-1-one,2,3-dihydro-5-iodo-, with the CAS registry number 511533-38-3, has the systematic name and IUPAC name of 5-iodoindan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H7IO.
The characteristics of 1H-Inden-1-one,2,3-dihydro-5-iodo- are as followings: (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)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.674; (10)Molar Refractivity: 51.46 cm3; (11)Molar Volume: 137 cm3; (12)Polarizability: 20.4×10-24cm3; (13)Surface Tension: 53.9 dyne/cm; (14)Density: 1.882 g/cm3; (15)Flash Point: 150.9 °C; (16)Enthalpy of Vaporization: 56.8 kJ/mol; (17)Boiling Point: 325.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000224 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(cc1I)CCC2=O
(2)InChI: InChI=1/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
(3)InChIKey: XVDWDHAAIWZKRU-UHFFFAOYAS