1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro- supplier

Name
4-BROMO-6-FLUOROINDAN-1-ONE
EINECS
CAS No. 174603-56-6
Article Data6
CAS DataBase
Density 1.691 g/cm³
Solubility
Melting Point
Formula C₉H₆BrFO
Boiling Point 301.069 °C at 760 mmHg
Molecular Weight 229.0457432
Flash Point 135.882 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BROMO-6-FLUOROINDAN-1-ONE;4-broMo-6-fluoro-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one,4-broMo-6-fluoro-2,3-dihydro-
PSA 17.07000
LogP 2.71710

1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro- Specification

The 1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro-, with CAS registry number 174603-56-6, has the systematic name of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-one. Besides this, it is also called 4-Bromo-6-fluoroindan-1-one. And the chemical formula of this chemical is C₉H₆BrFO.

Physical properties of 1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro-: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 46.242 cm³; (9)Molar Volume: 135.416 cm³; (10)Polarizability: 18.332×10^-24cm³; (11)Surface Tension: 47.817 dyne/cm; (12)Density: 1.691 g/cm³; (13)Flash Point: 135.882 °C; (14)Enthalpy of Vaporization: 54.118 kJ/mol; (15)Boiling Point: 301.069 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(c(Br)c1)CCC2=O
(2)InChI: InChI=1/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
(3)InChIKey: KBBCLUTZUIWTON-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
(5)Std. InChIKey: KBBCLUTZUIWTON-UHFFFAOYSA-N

Product Name

4-BROMO-6-FLUOROINDAN-1-ONE

1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro- Specification

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