1-Pentanone,2-fluoro-1-phenyl- supplier

Name
4'-FLUOROVALEROPHENONE
EINECS 211-907-8
CAS No. 29114-66-7
Article Data5
CAS DataBase
Density 1.031 g/cm³
Solubility
Melting Point 23-25 °C
Formula C₁₁H₁₃FO
Boiling Point 253.1 °C at 760 mmHg
Molecular Weight 180.222
Flash Point 100.2 °C
Transport Information
Appearance colorless adhering crystalline solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valerophenone,2-fluoro- (8CI);1-(4-fluorophenyl)pentan-1-one;1-(4-Fluoro-phenyl)-pentan-1-one;1-pentanone, 1-(4-fluorophenyl)-;1-(4-fluorophenyl)pentan-1-one;
PSA 17.07000
LogP 3.19860

1-Pentanone,2-fluoro-1-phenyl- Specification

The 1-Pentanone,2-fluoro-1-phenyl-, with the CAS registry number 29114-66-7 and EINECS registry number 211-907-8, has the systematic name and IUPAC name of 1-(4-fluorophenyl)pentan-1-one. It is a kind of colorless adhering crystalline solid, and belongs to the product category of Acetyl Halide. And the molecular formula of the chemical is C₁₁H₁₃FO. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of 1-Pentanone,2-fluoro-1-phenyl- are as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194.39; (6)ACD/BCF (pH 7.4): 194.39; (7)ACD/KOC (pH 5.5): 1513.01; (8)ACD/KOC (pH 7.4): 1513.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 50.17 cm³; (15)Molar Volume: 174.6 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.031 g/cm³; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 49.05 kJ/mol; (21)Boiling Point: 253.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0186 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)CCCC
(2)InChI: InChI=1/C11H13FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: HBJRRAMFTUDWMQ-UHFFFAOYAN

Product Name

4'-FLUOROVALEROPHENONE

1-Pentanone,2-fluoro-1-phenyl- Specification

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