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7-Fluoro-1-tetralone

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Name

7-Fluoro-1-tetralone

EINECS
CAS No. 2840-44-0 Density 1.198 g/cm3
Solubility Melting Point
Formula C10H9FO Boiling Point 258.1 °C at 760 mmHg
Molecular Weight 164.1763 Flash Point 99.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 2840-44-0 (1(2H)-Naphthalenone,7-fluoro-3,4-dihydro-) Hazard Symbols
Synonyms

7-Fluoro-1-tetralone;7-Fluoro-3,4-dihydro-1(2H)-naphthalenone;7-Fluoro-3,4-dihydro-2H-naphthalen-1-one;7-Fluoro-a-tetralone;7-Fluorotetralone;7-fluoro-3,4-dihydronaphthalen-1(2H)-one;1(2H)-naphthalenone, 7-fluoro-3,4-dihydro-;

 

7-Fluoro-1-tetralone Specification

The 7-Fluoro-3,4-dihydro-2H-naphthalen-1-one, with the CAS registry number 2840-44-0, has the systematic name of 7-fluoro-3,4-dihydronaphthalen-1(2H)-one. It belongs to the following product categories: Heterocycles series; Aromatic Building Blocks. And the molecular formula of this chemical is C10H9FO.

The physical properties of 7-Fluoro-3,4-dihydro-2H-naphthalen-1-one are as following: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 68.04; (6)ACD/BCF (pH 7.4): 68.04; (7)ACD/KOC (pH 5.5): 713.7; (8)ACD/KOC (pH 7.4): 713.7; (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: 1.542; (14)Molar Refractivity: 43.16 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 99.5 °C; (20)Enthalpy of Vaporization: 49.57 kJ/mol; (21)Boiling Point: 258.1 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1c(C(=O)CCC1)c2
(2)InChI: InChI=1/C10H9FO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
(3)InChIKey: UCBYBFAJSWCTLG-UHFFFAOYAR

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