Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)- supplier

Name
2-PYRIDIN-4-YL-1-P-TOLYL-ETHANONE
EINECS
CAS No. 100866-13-5
Article Data5
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point 110-111 °C(Solv: ethyl acetate (141-78-6); isopropyl ether (108-20-3))
Formula C₁₄H₁₃NO
Boiling Point 185.4 °C at 760 mmHg
Molecular Weight 211.263
Flash Point 185.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,4'-methyl-2-(4-pyridyl)- (6CI);1-(4-Methylphenyl)-2-(4-pyridyl)ethanone;
PSA 29.96000
LogP 2.81540

Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)- Specification

The Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)-, with the CAS registry number 100866-13-5, is also known as Acetophenone,4'-methyl-2-(4-pyridyl)- (6CI). This chemical's molecular formula is C₁₄H₁₃NO and molecular weight is 211.26. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Methylphenyl)-2-(pyridin-4-yl)ethanone.

Physical properties about Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 16.52; (6)ACD/BCF (pH 7.4): 25.05; (7)ACD/KOC (pH 5.5): 229.76; (8)ACD/KOC (pH 7.4): 348.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 63.68 cm³; (15)Molar Volume: 191.1 cm³; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.105 g/cm³; (18)Flash Point: 185.4 °C; (19)Enthalpy of Vaporization: 61.74 kJ/mol; (20)Boiling Point: 185.4 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)Cc2ccncc2
(2) InChI: InChI=1/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3
(3) InChIKey: XUCKHEMSKSGZAI-UHFFFAOYAU

Product Name

2-PYRIDIN-4-YL-1-P-TOLYL-ETHANONE

Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)- Specification

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