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| CAS No.: | 4199-89-7 |
|---|---|
| Name: | 5-CHLORO-1,10-PHENANTHROLINE |
| Molecular Structure: | |
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| Formula: | C12H7ClN2 |
| Molecular Weight: | 214.654 |
| Synonyms: | 5-Chloro-1,10-phenanthroline;5-Chloro-1,10-diazaphenanthrene;5-Chloro-o-phenanthroline; |
| EINECS: | 224-098-1 |
| Density: | 1.375 g/cm3 |
| Melting Point: | 123 °C |
| Boiling Point: | 397.4 °C at 760 mmHg |
| Flash Point: | 226.4 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 25.78000 |
| LogP: | 3.43640 |
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Specification
The 1,10-Phenanthroline,5-chloro- is an organic compound with the formula C12H7ClN2. The IUPAC name of this chemical is 5-Chloro-1,10-phenanthroline. With the CAS registry number 4199-89-7, it is also named as 5-Chloro-[1,10]phenanthroline. The categories of the product are N-ContainingHeterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Others. Besides, it should be stored in a sealed, dry, well-ventilated and lightproof place.
The physical properties of 1,10-Phenanthroline,5-chloro- are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 52.72; (5)ACD/BCF (pH 7.4): 53.97; (6)ACD/KOC (pH 5.5): 590.53; (7)ACD/KOC (pH 7.4): 604.57; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.741; (11)Molar Refractivity: 63.01 cm3; (12)Molar Volume: 156 cm3; (13)Polarizability: 24.98×10-24 cm3; (14)Surface Tension: 62.6 dyne/cm; (15)Density: 1.375 g/cm3; (16)Flash Point: 226.4 °C; (17)Enthalpy of Vaporization: 62.26 kJ/mol; (18)Boiling Point: 397.4 °C at 760 mmHg; (19)Vapour Pressure: 3.64E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by 5,6-Dichloro-5,6-dihydro-1,10-phenanthroline. This reaction will need reagent sodium metal and solvent Propan-2-ol. The yield is about 97.5%.
Uses of 1,10-Phenanthroline,5-chloro-: it can be used to produce [1,10]Phenanthroline-5-thiol. This reaction is a kind of Substitution//decomposition. It will need reagent sodium ethanethiolate and solvent dimethylformamide with reaction time of 24 hours. The yield is about 74%.
![1,10-Phenanthroline,5-chloro- can be used to produce [1,10]Phenanthroline-5-thiol](/UserFilesUpload/Uses of 1,10-Phenanthroline,5-chloro-.png)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1cccnc1c3ncccc23
(2)Std. InChI: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
(3)Std. InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N