6-Fluoro-2-tetralone supplier

Name
6-Fluoro-2-tetralone
EINECS
CAS No. 29419-14-5
Article Data12
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₀H₉FO
Boiling Point 265.5 °C at 760 mmHg
Molecular Weight 164.18
Flash Point 101.4 °C
Transport Information
Appearance
Safety
Risk Codes 22-52
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Fluoro-3,4-dihydro-1H-naphthalen-2-one;6-Fluoro-3,4-dihydronaphthalen-2(1H)-one;6-fluoro-3,4-dihydronaphthalen-2(1H)-one;
PSA 17.07000
LogP 1.88350

6-Fluoro-2-tetralone Specification

The 6-Fluoro-2-tetralone, with the CAS registry number 29419-14-5, has the systematic name of 6-fluoro-3,4-dihydronaphthalen-2(1H)-one. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C₁₀H₉FO.

The physical properties of 6-Fluoro-2-tetralone are as following: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 13.22; (7)ACD/KOC (pH 5.5): 220.87; (8)ACD/KOC (pH 7.4): 220.87; (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: 101.4 °C; (20)Enthalpy of Vaporization: 50.35 kJ/mol; (21)Boiling Point: 265.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00911 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)CCC(=O)C2
(2)InChI: InChI=1/C10H9FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2
(3)InChIKey: QMXOEISLPMFMBQ-UHFFFAOYAQ

Product Name

6-Fluoro-2-tetralone

6-Fluoro-2-tetralone Specification

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