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

Name
1-(4-CHLORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE
EINECS
CAS No. 58158-45-5
Article Data6
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀ClNO
Boiling Point 395.229 °C at 760 mmHg
Molecular Weight 231.681
Flash Point 192.828 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,4'-chloro-2-(4-pyridyl)- (5CI);1-(4-Chlorophenyl)-2-(4-pyridyl)ethanone;1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethanone;
PSA 29.96000
LogP 3.16040

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

The Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-, with the CAS registry number 4593-17-3, is also known as Acetophenone,4'-chloro-2-(4-pyridyl)- (5CI). This chemical's molecular formula is C₁₃H₁₀ClNO and molecular weight is 231.68. What's more, its systematic name is 1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethanone.

Physical properties about Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 323; (8)ACD/KOC (pH 7.4): 462; (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: 63.755 cm³; (15) Molar Volume: 186.84 cm³; (16)Surface Tension: 49.114 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 192.828 °C; (19)Enthalpy of Vaporization: 64.536 kJ/mol; (20)Boiling Point: 395.229 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)Cc2ccncc2
(2) InChI: InChI=1/C13H10ClNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
(3) InChIKey: ACXBUZADCUPLKE-UHFFFAOYAH

Product Name

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

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

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