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

Name
1-(2-CHLORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE
EINECS
CAS No. 216076-11-8
Article Data8
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀ClNO
Boiling Point 357 °C at 760 mmHg
Molecular Weight 231.681
Flash Point 169.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone;
PSA 29.96000
LogP 3.16040

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

The Ethanone,1-(2-chlorophenyl)-2-(4-pyridinyl)-, with the CAS registry number 216076-11-8, is also known as 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone. This chemical's molecular formula is C₁₃H₁₀ClNO and molecular weight is 231.68. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Chlorophenyl)-2-pyridin-4-ylethanone.

Physical properties about Ethanone,1-(2-chlorophenyl)-2-(4-pyridinyl)-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 16.72; (6)ACD/BCF (pH 7.4): 23.59; (7)ACD/KOC (pH 5.5): 236.59; (8)ACD/KOC (pH 7.4): 333.87; (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: 1.598; (14)Molar Refractivity: 63.75 cm³; (15)Molar Volume: 186.8 cm³; (16)Surface Tension: 49.1 dyne/cm; (17)Density: 1.239 g/cm³; (18)Flash Point: 169.7 °C; (19)Enthalpy of Vaporization: 60.24 kJ/mol; (20)Boiling Point: 357 °C at 760 mmHg; (21)Vapour Pressure: 2.8E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1Cl)Cc2ccncc2
(2) InChI: InChI=1/C13H10ClNO/c14-12-4-2-1-3-11(12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
(3) InChIKey:BMSUUDSMTHMTQQ-UHFFFAOYAE

Product Name

1-(2-CHLORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE

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

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