Ethanone,1-[4-(3-pyridinyloxy)phenyl]- supplier

Name
1-[4-(pyridin-3-yloxy)phenyl]ethan-1-one
EINECS 254-527-8
CAS No. 39572-18-4
Article Data5
CAS DataBase
Density 1.154 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₁NO₂
Boiling Point 357.7 °C at 760 mmHg
Molecular Weight 213.236
Flash Point 170.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-[(Pyridin-3-yl)oxy]phenyl]ethanone;1-(4-(Pyridin-3-yloxy)phenyl)ethan-1-one;1-[4-(Pyridin-3-yloxy)phenyl]ethanone;
PSA 39.19000
LogP 3.07650

Ethanone,1-[4-(3-pyridinyloxy)phenyl]- Specification

The Ethanone,1-[4-(3-pyridinyloxy)phenyl]-, with the CAS registry number 39572-18-4, is also known as 1-(4-(Pyridin-3-yloxy)phenyl)ethan-1-one. Its EINECS number is 254-527-8. This chemical's molecular formula is C₁₃H₁₁NO₂ and molecular weight is 213.23. What's more, its systematic name is 1-(4-pyridin-3-yloxyphenyl)ethanone.

Physical properties of Ethanone,1-[4-(3-pyridinyloxy)phenyl]- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 39.56; (6)ACD/BCF (pH 7.4): 40.33; (7)ACD/KOC (pH 5.5): 481.38; (8)ACD/KOC (pH 7.4): 490.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 60.81 cm³; (15)Molar Volume: 184.7 cm³; (16)Polarizability: 24.1×10^-24cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 357.7 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC2=CN=CC=C2
(2)InChI: InChI=1S/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3
(3)InChIKey: CLOBDYGKUVCMRD-UHFFFAOYSA-N

Product Name

1-[4-(pyridin-3-yloxy)phenyl]ethan-1-one

Ethanone,1-[4-(3-pyridinyloxy)phenyl]- Specification

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