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203066-87-9

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Basic Information
CAS No.: 203066-87-9
Name: 4'-N-DECYLOXY-2'-FLUOROACETOPHENONE
Article Data: 1
Cas Database
Molecular Structure:
Molecular Structure of 203066-87-9 (4'-N-DECYLOXY-2'-FLUOROACETOPHENONE)
Formula: C18H27FO2
Molecular Weight: 294.41
Synonyms: 1-[4-(Decyloxy)-2-fluorophenyl]ethanone;4'-Decyloxy-2'-fluoroacetophenone;
Density: 0.988 g/cm3
Boiling Point: 386.7 °C at 760 mmHg
Flash Point: 181.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.30000
LogP: 5.54780
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Specification

The Ethanone,1-[4-(decyloxy)-2-fluorophenyl]-, with the CAS registry number 203066-87-9, is also known as 4'-Decyloxy-2'-fluoroacetophenone. It belongs to the product categories of Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. This chemical's molecular formula is C18H27FO2 and molecular weight is 294.4. What's more, its systematic name is 1-[4-(decyloxy)-2-fluorophenyl]ethanone.

Physical properties of Ethanone,1-[4-(decyloxy)-2-fluorophenyl]- are: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30438.1; (6)ACD/BCF (pH 7.4): 30438.1; (7)ACD/KOC (pH 5.5): 56339.69 ; (8)ACD/KOC (pH 7.4): 56339.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 84.64 cm3; (15)Molar Volume: 297.7 cm3; (16)Polarizability: 33.55×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.988 g/cm3; (19)Flash Point: 181.2 °C; (20)Enthalpy of Vaporization: 63.57 kJ/mol; (21)Boiling Point: 386.7 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OCCCCCCCCCC)cc1F)C
(2)InChI: InChI=1S/C18H27FO2/c1-3-4-5-6-7-8-9-10-13-21-16-11-12-17(15(2)20)18(19)14-16/h11-12,14H,3-10,13H2,1-2H3
(3)InChIKey: SGTCQYRBFYAPGF-UHFFFAOYSA-N