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101712-20-3

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Basic Information
CAS No.: 101712-20-3
Name: 2,6-DIFLUOROPHENYLACETONE
Article Data: 1
Molecular Structure:
Molecular Structure of 101712-20-3 (2,6-DIFLUOROPHENYLACETONE)
Formula: C9H8F2O
Molecular Weight: 170.16
Synonyms: 2,6-Difluorophenylacetone;1-(2,6-Difluorophenyl)propan-2-one;
Density: 1.179 g/cm3
Boiling Point: 196.8 °C at 760 mmHg
Flash Point: 72.9 °C
Appearance: Clear colorless liquid
Safety: 24/25
PSA: 17.07000
LogP: 2.09630
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Specification

The 2-Propanone,1-(2,6-difluorophenyl)-, with the CAS registry number 101712-20-3, is also known as 2,6-Difluorophenylacetone. It belongs to the product category of Aromatic Ketones (substituted). This chemical's molecular formula is C9H8F2O and molecular weight is 170.16. What's more, its systematic name is 1-(2,6-Difluorophenyl)propan-2-one. The product should be sealed and stored in containers which are placed in cool and dry places. When using it, you need avoid contact with skin and eyes.

Physical properties of 2-Propanone,1-(2,6-difluorophenyl)- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 9.35; (7)ACD/KOC (pH 5.5): 172.4; (8)ACD/KOC (pH 7.4): 172.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 40.45 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 16.03×10-24 cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 72.9 °C; (20)Enthalpy of Vaporization: 43.3 kJ/mol; (21)Boiling Point: 196.8 °C at 760 mmHg; (22)Vapour Pressure: 0.391 mmHg at 25°C.

Uses of 2-Propanone,1-(2,6-difluorophenyl)-: it can be used to produce 2',6'-difluoro-5-nitro-biphenyl-2-ol. It will need reagent aq. sodium hydroxide and solvent ethanol with the reaction time of 20 hours. The yield is about 52%.

2-Propanone,1-(2,6-difluorophenyl)- can be used to produce 2',6'-difluoro-5-nitro-biphenyl-2-ol

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=C(C=CC=C1F)F
(2)InChI: InChI=1S/C9H8F2O/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3
(3)InChIKey: LAWHOFKPDMZDLJ-UHFFFAOYSA-N