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| CAS No.: | 17252-51-6 |
|---|---|
| Name: | 4,4'-Trimethylenedipyridine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C13H14N2 |
| Molecular Weight: | 198.268 |
| Synonyms: | Pyridine,4,4'-trimethylenedi- (6CI,7CI,8CI);1,3-Bis(4-pyridinyl)propane;1,3-Bis(4-pyridyl)propane;1,3-Bis(4'-pyridyl)propane;1,3-Di-4-pyridylpropane;4,4'-Bis(1,3-propanediyl)pyridine;4,4'-Trimethylenebispyridine;4,4'-Trimethylenedipyridine;NSC 42785; |
| EINECS: | 241-284-8 |
| Density: | 1.066 g/cm3 |
| Melting Point: | 57-60 °C(lit.) |
| Boiling Point: | 338.7 °C at 760 mmHg |
| Flash Point: | 128.2 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-28-36/37/39-45 |
| Transport Information: | 2811 |
| PSA: | 25.78000 |
| LogP: | 2.65190 |
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Specification
The 4,4'-Trimethylenedipyridine ,its cas register number is 17252-51-6.It also can be called as Pyridine, 4,4'-(1,3-propanediyl)bis- and the IUPAC name about this chemicals is 4-(3-Pyridin-4-ylpropyl)pyridine .It belongs to the following product categories, such as C9 to C46, Heterocyclic Building Blocks, Pyridines and so on.
Following are the chemical properties about 4,4'-Trimethylenedipyridine :(1)#H bond acceptors: 2 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 4 ; (4)Polar Surface Area: 25.78Å2 ; (5)Index of Refraction: 1.571 ; (6)Molar Refractivity: 61.1 cm3 ; (7)Molar Volume: 185.9 cm3 ; (8)Polarizability: 24.22x10-24cm3 ; (9)Surface Tension: 45.9 dyne/cm ; (10)Enthalpy of Vaporization: 55.9 kJ/mol ; (11)Vapour Pressure: 0.00019 mmHg at 25°C
The 4,4'-Trimethylenedipyridine is a dangerous chemical, because it is harmful by inhalation, in contact with skin and if swallowed and it irritating to eyes, respiratory system and skin. In the using process, please be more careful, you need to wear suitable protective clothing, gloves and eye/face protection, also after contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Except these safety informations, there are also exist other data like WGK Germany is 3, HazardClass is 6.1(b) and PackingGroup about it is III.
This chemicals can be described computed from structure:
(1)Canonical SMILES: C1=CN=CC=C1CCCC2=CC=NC=C2
(2)InChI: InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2
(3)InChIKey: OGNCVVRIKNGJHQ-UHFFFAOYSA-N