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CAS No.: | 4916-57-8 |
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Name: | 1,2-BIS(4-PYRIDYL)ETHANE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C12H12N2 |
Molecular Weight: | 184.241 |
Synonyms: | Pyridine,4,4'-ethylenedi- (6CI,7CI,8CI);1,2-Bis(4-pyridinyl)ethane;1,2-Bis(4-pyridyl)ethane;1,2-Di(4-pyridinyl)ethane;1,2-Di-4-pyridylethane;NSC 11477; |
EINECS: | 225-543-2 |
Density: | 1.087 g/cm3 |
Melting Point: | 110-112 °C (lit.) |
Boiling Point: | 310.3 °C at 760 mmHg |
Flash Point: | 117.2 °C |
Appearance: | white to light yellow crystals |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 25.78000 |
LogP: | 2.26180 |
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The Pyridine, 4, 4'-(1, 2-ethanediyl)bis-, with the CAS registry number 4916-57-8, is also known as 1, 2-Di(4-pyridyl)ethane. It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 225-543-2. This chemical's molecular formula is C12H12N2 and molecular weight is 184.24. What's more, its IUPAC name is 4-(2-Pyridin-4-ylethyl)pyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.
Physical properties about Pyridine, 4, 4'-(1, 2-ethanediyl)bis- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 1.36; (6)ACD/BCF (pH 7.4): 11.23; (7)ACD/KOC (pH 5.5): 23.44; (8)ACD/KOC (pH 7.4): 193.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 56.47 cm3; (15)Molar Volume: 169.3 cm3; (16)Polarizability: 22.38×10-24 cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.087 g/cm3; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 52.91 kJ/mol; (21)Boiling Point: 310.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00111 mmHg at 25 °C.
Preparation of Pyridine, 4, 4'-(1, 2-ethanediyl)bis-: this chemical is prepared by 4-Methyl-pyridine. This reaction needs reagents Butyllithium and 1, 2-Dibromoethane. Meanwhile, it needs solvents Hexane and Diethyl ether. The reaction temperature is 20 °C. The yield is about 35 %.
Uses of Pyridine, 4, 4'-(1, 2-ethanediyl)bis-: it is used to produce other chemicals. For example, it is used to produce N-(Perfluorobutanoyl)-4-[2-(4-pyridyl)ethyl]pyridinium-1-aminide. The reaction needs reagent Perfluoro(cis-2-butyl-3-propyloxaziridine). Meanwhile, it needs solvents CHCl3 and CCl3F. The reaction time is 30 minutes with reaction temperature of -60 °C. The yield is about 35 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)CCc2ccncc2
(2) InChI: InChI=1/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2
(3) InChIKey: DQRKTVIJNCVZAX-UHFFFAOYAW