-
Name
5-Fluoro-2-indanone
- EINECS
- CAS No. 57584-69-7
- Density 1.259
- Solubility
- Melting Point
- Formula C9H7 F O
- Boiling Point 242.651 ºC at 760 mmHg
- Molecular Weight 150.152
- Flash Point 86.148 ºC
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Fluoro-2-indanone;
- PSA
- LogP
2H-Inden-2-one,5-fluoro-1,3-dihydro- Specification
The 2H-Inden-2-one,5-fluoro-1,3-dihydro-, with the cas registry number 57584-69-7, has its systematic name of 5-fluoro-1,3-dihydro-2H-inden-2-one.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 118; (8)ACD/KOC (pH 7.4): 118; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 38.551 cm3; (15)Molar Volume: 119.232 cm3; (16)Polarizability: 15.283 ×10-24 cm3; (17)Surface Tension: 42.839 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 86.148 °C; (20)Enthalpy of Vaporization: 47.964 kJ/mol; (21)Boiling Point: 242.651 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Fc1ccc2CC(=O)Cc2c1
(2)InChI:InChI=1/C9H7FO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
(3)InChIKey:OFVNPOZRBPSFSH-UHFFFAOYAZ
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