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| CAS No.: | 694-05-3 |
|---|---|
| Name: | 1,2,3,6-Tetrahydropyridine |
| Molecular Structure: | |
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| Formula: | C5H9N |
| Molecular Weight: | 83.1332 |
| Synonyms: | 1,2,3,6-Tetrahydropyridine;1,2,5,6-Tetrahydropyridine;1,2,3,6-Tetrahydropyridine [UN2410] [Flammable liquid];Pyridine, 1,2,3,6-tetrahydro- (8CI)(9CI); |
| EINECS: | 211-766-2 |
| Density: | 0.867 g/cm3 |
| Melting Point: | -48 °C(lit.) |
| Boiling Point: | 110.9 °C at 760 mmHg |
| Flash Point: | 16.1 °C |
| Solubility: | Insoluble in water |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 2410 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 0.86470 |
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Specification
The CAS register number of 1,2,3,6-Tetrahydropyridine is 694-05-3. It also can be called as Pyridine, 1,2,3,6-tetrahydro- and the IUPAC name about this chemical is 1,2,3,6-tetrahydropyridine. The molecular formula about this chemical is C5H9N and the molecular weight is 83.13. It belongs to the following product categories which include Pyridines; Heterocyclic Compounds; C5; Heterocyclic Building Blocks and so on. This chemical can be used to make other chemicals.
Physical properties about 1,2,3,6-Tetrahydropyridine are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): -2.04; (3)ACD/LogD (pH 7.4): -1.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 3.24Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 26.01 cm3; (13)Molar Volume: 95.7 cm3; (14)Polarizability: 10.31x10-24cm3; (15)Surface Tension: 30.1 dyne/cm; (16)Flash Point: 16.1 °C; (17)Enthalpy of Vaporization: 34.96 kJ/mol; (18)Boiling Point: 110.9 °C at 760 mmHg; (19)Vapour Pressure: 23.3 mmHg at 25°C.
Preparation: this chemical can be prepared by N-chloro-1,2,5,6-tetrahydropyridine. This reaction will also produce pyridine and 5,6-dihydropyridine. It will need reagent t-BuOK. The reaction pressure is 0.001 with reaction temperature of 60 °C. The yield is about 22%.
Uses of 1,2,3,6-Tetrahydropyridine: it can be used to produce N-chloro-1,2,5,6-tetrahydropyridine at temperature of 25 °C. This reaction will need reagent N-chlorosuccinimide with reaction pressure of 0.001.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is flammable. When you are using it, please keep away from sources of ignition and wear suitable protective clothing, 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: C\1=C\CCNC/1
(2)InChI: InChI=1/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
(3)InChIKey: FTAHXMZRJCZXDL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
(5)Std. InChIKey: FTAHXMZRJCZXDL-UHFFFAOYSA-N