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1,2-Ethanediol,1,2-di-4-pyridinyl-

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Name

1,2-Ethanediol,1,2-di-4-pyridinyl-

EINECS 230-120-0
CAS No. 6950-04-5 Density 1.303 g/cm3
PSA 66.24000 LogP 1.24360
Solubility N/A Melting Point 215-217 °C
Formula C12H12N2O2 Boiling Point 451.1 °C at 760 mmHg
Molecular Weight 216.239 Flash Point 226.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6950-04-5 (1 2-DI-(4-PYRIDYL)-1 2-ETHANEDIOL) Hazard Symbols N/A
Synonyms

1,2-Bis(4-pyridyl)ethane-1,2-diol;NSC 26025;a,b-Di(4-pyridyl)glycol;1,2-Bis(4-pyridyl) glycol;1,2-Ethanediol,1,2-di-4-pyridyl- (6CI,7CI,8CI);

Article Data 4

1,2-Ethanediol,1,2-di-4-pyridinyl- Specification

The 1,2-Ethanediol,1,2-di-4-pyridinyl-, with the CAS registry number 6950-04-5, is also known as 1,2-Bis(4-pyridinyl)ethane-1,2-diol. Its EINECS registry number is 230-120-0. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.24. What's more, its IUPAC name is 1,2-Dipyridin-4-ylethane-1,2-diol and systematic name is 1,2-Di(4-pyridyl)ethanediol.

Physical properties about 1,2-Ethanediol,1,2-di-4-pyridinyl- are: (1)ACD/LogP: -1.13; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.88; (8)ACD/KOC (pH 7.4): 5.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 59.54 cm3; (15)Molar Volume: 165.9 cm3; (16)Polarizability: 23.6×10-24cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.303 g/cm3; (19)Flash Point: 226.6 °C; (20)Enthalpy of Vaporization: 74.83 kJ/mol; (21)Boiling Point: 451.1 °C at 760 mmHg; (22)Vapour Pressure: 6.3E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccncc1)C(O)c2ccncc2
(2) InChI: InChI=1/C12H12N2O2/c15-11(9-1-5-13-6-2-9)12(16)10-3-7-14-8-4-10/h1-8,11-12,15-16H
(3) InChIKey: DHKSJSQSVHHBPH-UHFFFAOYAO 

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