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| CAS No.: | 166250-01-7 |
|---|---|
| Name: | 4-CHLORO-6-FLUOROINDAN-1-ONE |
| Molecular Structure: | |
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| Formula: | C9H6ClFO |
| Molecular Weight: | 184.5947 |
| Synonyms: | 4-chloro-6-fluoro-2,3-dihydro-1H-inden-1-one; |
| Density: | 1.407 g/cm3 |
| Boiling Point: | 281.2 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 17.07000 |
| LogP: | 2.60800 |
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Specification
The 1H-Inden-1-one, 4-chloro-6-fluoro-2,3-dihydro-, with the CAS registry number 166250-01-7, has the systematic name of 4-chloro-6-fluoro-2,3-dihydro-1H-inden-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C9H6ClFO.
The physical properties of 1H-Inden-1-one, 4-chloro-6-fluoro-2,3-dihydro- are as following: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 56.18; (6)ACD/BCF (pH 7.4): 56.18; (7)ACD/KOC (pH 5.5): 622.25; (8)ACD/KOC (pH 7.4): 622.25; (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: 1.576; (14)Molar Refractivity: 43.44 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 17.22×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 123.9 °C; (20)Enthalpy of Vaporization: 52 kJ/mol; (21)Boiling Point: 281.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc1c(CCC1=O)c(Cl)c2
(2)InChI: InChI=1/C9H6ClFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
(3)InChIKey: PADRGRWYNJBMQI-UHFFFAOYAS