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| CAS No.: | 128143-89-5 |
|---|---|
| Name: | 4'-CHLORO-2,2':6',2''-TERPYRIDINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C15H10ClN3 |
| Molecular Weight: | 267.717 |
| Synonyms: | 4'-Chloro-2,2,2':6',2''-terpyridine;4'-Chloro-2,2':6',2''-terpyridine; |
| EINECS: | -0 |
| Density: | 1.265 g/cm3 |
| Melting Point: | 148-150 °C(lit.) |
| Boiling Point: | 421.4 °C at 760 mmHg |
| Flash Point: | 241.2 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 38.67000 |
| LogP: | 3.85900 |
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Specification
The 2,2':6',2''-Terpyridine,4'-chloro-, with CAS registry number 128143-89-5, belongs to the following product categories: (1)C9 to C46; (2)Heterocyclic Building Blocks; (3)Halogenated Heterocycles; (4)Pyridines. It has the systematic name of 4'-chloro-2,2':6',2''-terpyridine. This chemical is a kind of brown crystalline powder. And the chemical formula of this chemical is C15H10ClN3.
Physical properties of 2,2':6',2''-Terpyridine,4'-chloro-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 46.13; (6)ACD/BCF (pH 7.4): 48.13; (7)ACD/KOC (pH 5.5): 533.76; (8)ACD/KOC (pH 7.4): 556.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 74.6 cm3; (15)Molar Volume: 211.6 cm3; (16)Polarizability: 29.57×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 241.2 °C; (20)Enthalpy of Vaporization: 64.92 kJ/mol; (21)Boiling Point: 421.4 °C at 760 mmHg; (22)Vapour Pressure: 6.43E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1'H-[2,2';6',2'']terpyridin-4'-one. This reaction will need reagents PCl5, POCl3. The reaction time is 12 hour(s). The yield is about 62%.
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When you are using this chemical, please be cautious about it as the following:
The 2,2':6',2''-Terpyridine,4'-chloro- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. And it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)Cl
(2)InChI: InChI=1/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
(3)InChIKey: AHEMFMCEBIJRMU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
(5)Std. InChIKey: AHEMFMCEBIJRMU-UHFFFAOYSA-N