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2'-Fluoro-5'-nitroacetophenone

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Name

2'-Fluoro-5'-nitroacetophenone

EINECS 639-356-2
CAS No. 79110-05-7 Density 1.336 g/cm3
PSA 62.89000 LogP 2.45970
Solubility N/A Melting Point 53-54 °C
Formula C8H6FNO3 Boiling Point 241 °C at 760 mmHg
Molecular Weight 183.139 Flash Point 99.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 79110-05-7 (1-(2-Fluoro-5-nitrophenyl)ethan-1-one) Hazard Symbols IrritantXi
Synonyms

1-(2-Fluoro-5-nitrophenyl)ethanone;2'-Fluoro-5'-nitroacetophenone;

Article Data 20

2'-Fluoro-5'-nitroacetophenone Specification

The Ethanone,1-(2-fluoro-5-nitrophenyl)-, with the CAS registry number 79110-05-7, is also known as 2'-Fluoro-5'-nitroacetophenone. This chemical's molecular formula is C8H6FNO3 and molecular weight is 183.1365432. What's more, its systematic name is called 1-(2-Fluoro-5-nitrophenyl)ethanone. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about Ethanone,1-(2-fluoro-5-nitrophenyl)- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.94; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.39; (8)ACD/KOC (pH 7.4): 75.39; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 42.82 cm3; (15)Molar Volume: 137 cm3; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.336 g/cm3; (18)Flash Point: 99.6 °C; (19)Enthalpy of Vaporization: 47.8 kJ/mol; (20)Boiling Point: 241 °C at 760 mmHg; (21)Vapour Pressure: 0.0367 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(ccc1F)[N+]([O-])=O)C
(2) InChI: InChI=1/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
(3) InChIKey: BCXOSCQTHVTUET-UHFFFAOYAG

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