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Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)-

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Name

Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)-

EINECS N/A
CAS No. 82652-12-8 Density 1.328 g/cm3
PSA 59.59000 LogP 2.13380
Solubility N/A Melting Point 81-83 ºC
Formula C9H9FO3S Boiling Point 414.3 ºC at 760 mmHg
Molecular Weight 216.233 Flash Point 204.4 ºC
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 82652-12-8 (4-(METHYLSULFONYLAMINO)BENZYLAMINE HYDROCHLORIDE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

1-(3-Fluorophenyl)-2-(methylsulfonyl)ethan-1-one;

Article Data 4

Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)- Specification

The Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)-, with the CAS registry number 82652-12-8, is also known as 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethan-1-one. This chemical's molecular formula is C9H9FO3S and molecular weight is 216.23. What's more, its systematic name is called 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone.

Physical properties about Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)- are: (1) ACD/LogP: 0.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.37; (4) ACD/LogD (pH 7.4): 0.37; (5) ACD/BCF (pH 5.5): 1.12; (6) ACD/BCF (pH 7.4): 1.12; (7) ACD/KOC (pH 5.5): 37.68; (8) ACD/KOC (pH 7.4): 37.68; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 59.59 Å2; (13) Index of Refraction: 1.522; (14) Molar Refractivity: 49.68 cm3; (15) Molar Volume: 162.7 cm3; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.328 g/cm3; (18)Flash Point: 204.4 °C; (19) Enthalpy of Vaporization: 66.73 kJ/mol; (20) Boiling Point: 414.3 °C at 760 mmHg; (21) Vapour Pressure: 4.48E-07 mmHg at 25 °C; (22) Melting Point: 81-83 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(F)ccc1)CS(=O)(=O)C
(2) InChI: InChI=1/C9H9FO3S/c1-14(12,13)6-9(11)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
(3) InChIKey: VSVWRPDWOFICOX-UHFFFAOYAG

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