Methanone,di-3-pyridinyl- supplier

Name
DIPYRIDIN-3-YLMETHANONE
EINECS
CAS No. 35779-35-2
Article Data16
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point 115.5-117.0 °C
Formula C₁₁H₈N₂O
Boiling Point 346.8 °C at 760 mmHg
Molecular Weight 184.19
Flash Point 167.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3,3'-Dipyridylketone;3-Nicotinoylpyridine;Bis(pyridin-3-yl)methanone;Di(pyridin-3-yl)ketone;Di-3-pyridyl ketone;NSC 170628;
PSA 42.85000
LogP 1.70760

Methanone,di-3-pyridinyl- Specification

The Methanone,di-3-pyridinyl-, with the CAS registry number 35779-35-2, is also known as Bis(pyridin-3-yl)methanone. This chemical's molecular formula is C₁₁H₈N₂O and molecular weight is 184.19. What's more, its IUPAC name is dipyridin-3-ylmethanone.

Physical properties of Methanone,di-3-pyridinyl- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.85 Å²; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 52.22 cm³; (9)Molar Volume: 153.9 cm³; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.196 g/cm³; (12)Flash Point: 167.6 °C; (13)Enthalpy of Vaporization: 59.1 kJ/mol; (14)Boiling Point: 346.8 °C at 760 mmHg; (15)Vapour Pressure: 5.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)C(=O)C2=CN=CC=C2
(2)InChI: InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H
(3)InChIKey: AQLPDLOXKZRZEV-UHFFFAOYSA-N

Product Name

DIPYRIDIN-3-YLMETHANONE

Methanone,di-3-pyridinyl- Specification

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