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203066-98-2

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Basic Information
CAS No.: 203066-98-2
Name: 2'-FLUORO-4'-OCTYLOXYACETOPHENONE
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 203066-98-2 (2'-FLUORO-4'-OCTYLOXYACETOPHENONE)
Formula: C16H23FO2
Molecular Weight: 266.356
Synonyms: 2-Fluoro-4-n-octyloxyacetophenone;
Density: 1.019 g/cm3
Boiling Point: 357.1 °C at 760 mmHg
Flash Point: 164 °C
Solubility: at 25 deg C (mg/L): 0.1684
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.30000
LogP: 4.76760
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Specification

The Ethanone,1-[2-fluoro-4-(octyloxy)phenyl]-, with the CAS registry number 203066-98-2, is also known as 2-Fluoro-4-n-octyloxyacetophenone. It belongs to the product categories of Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. This chemical's molecular formula is C16H23FO2 and molecular weight is 266.35. What's more, its systematic name is called 1-[2-Fluoro-4-(octyloxy)phenyl]ethanone.

Physical properties about Ethanone,1-[2-fluoro-4-(octyloxy)phenyl]- are: (1) ACD/LogP: 5.14; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.14; (4) ACD/LogD (pH 7.4): 5.14; (5) ACD/BCF (pH 5.5): 4739.86; (6) ACD/BCF (pH 7.4): 4739.86; (7) ACD/KOC (pH 5.5): 14883.52; (8) ACD/KOC (pH 7.4): 14883.52; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.481; (14) Molar Refractivity: 75.38 cm3; (15) Molar Volume: 264.7 cm3; (16) Surface Tension: 33 dyne/cm; (17) Density: 1.006 g/cm3; (18) Flash Point: 164 °C; (19) Enthalpy of Vaporization: 60.24 kJ/mol; (20) Boiling Point: 357.1 °C at 760 mmHg; (21) Vapour Pressure: 2.79E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. 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(c1ccc(OCCCCCCCC)cc1F)C
(2) InChI: InChI=1/C16H23FO2/c1-3-4-5-6-7-8-11-19-14-9-10-15(13(2)18)16(17)12-14/h9-10,12H,3-8,11H2,1-2H3
(3) InChIKey: YADHYLAWFKTTCV-UHFFFAOYAQ