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Name |
5-Chloro-1,10-phenanthroline |
EINECS | 224-098-1 |
CAS No. | 4199-89-7 | Density | 1.375 g/cm3 |
PSA | 25.78000 | LogP | 3.43640 |
Solubility | N/A | Melting Point |
123 °C |
Formula | C12H7ClN2 | Boiling Point | 397.4 °C at 760 mmHg |
Molecular Weight | 214.654 | Flash Point | 226.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 22-41 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-Chloro-1,10-phenanthroline;5-Chloro-1,10-diazaphenanthrene;5-Chloro-o-phenanthroline; |
Article Data | 7 |
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%.
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