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CAS No.: | 1662-01-7 |
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Name: | Bathophenanthroline |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C24H16N2 |
Molecular Weight: | 332.404 |
Synonyms: | 1,10-Bathophenanthroline;4,7-Diphenyl-1,10-diazaphenanthrene;4,7-Diphenyl-1,10-phenanthroline;4,7-Diphenyl-o-phenanthroline;BPhen;DPA;NSC 637659; |
EINECS: | 216-767-1 |
Density: | 1.21 g/cm3 |
Melting Point: | 218-220 °C(lit.) |
Boiling Point: | 543.108 °C at 760 mmHg |
Flash Point: | 242.111 °C |
Solubility: | Soluble in benzene, chloroform and dilute inorganic acid, slightly soluble in ethanol and aether, insoluble in water |
Appearance: | white to faintly yellow crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 25.78000 |
LogP: | 6.11700 |
Conditions | Yield |
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With hydrogenchloride; hydrogen iodide In water at 100℃; for 0.333333h; Reagent/catalyst; Temperature; | 76.4% |
Conditions | Yield |
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With phosphoric acid; orthoarsenic acid |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: arsenic acid; aqueous sulfuric acid 2: SnCl2+2 H2O; ethanol 3: syrupy H3PO4; H3aso4 View Scheme |
4-phenyl-8-nitroquinoline
bathophenanthroline
Conditions | Yield |
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Multi-step reaction with 2 steps 1: SnCl2+2 H2O; ethanol 2: syrupy H3PO4; H3aso4 View Scheme |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: arsenic acid; aqueous sulfuric acid 2: SnCl2+2 H2O; ethanol 3: syrupy H3PO4; H3aso4 View Scheme |
A
bathophenanthroline
B
2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid
Conditions | Yield |
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In aq. phosphate buffer at 37℃; for 24h; Time; |
bathophenanthroline
Conditions | Yield |
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In toluene Ar atmosphere; stirring (60°C, 28 d); removal of excess of ligand on washing with aq. FeSO4, concn., pptn. on addn. of hexane; elem. anal.; | 99% |
bis(triphenylphosphino)copper(I) nitrate
bathophenanthroline
triphenylphosphine
(4,7-diphenyl-1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate
Conditions | Yield |
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In chloroform at 20℃; for 1h; Schlenk technique; | 99% |
bathophenanthroline
Conditions | Yield |
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With methyllithium In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
In tetrahydrofuran N2; stirred for 1 h; cncd., pptd. (ether), ppt. washed (diethyl ether), dried (vac.); elem. anal.; | 98% |
The 1,10-Phenanthroline,4,7-diphenyl-, with the CAS registry number 1662-01-7, is also known as 1,10-Bathophenanthroline. It belongs to the product categories of Analytical Chemistry; Chelating Reagents; Electroluminescence; Functional Materials; Highly Purified Reagents; Other Categories; Phenanthrolines; Refined Products by Sublimation; White crystalline powder; Organic Amine. Its EINECS number is 216-767-1. This chemical's molecular formula is C24H16N2 and molecular weight is 332.40. What's more, its systematic name is 4,7-Diphenyl-1,10-phenanthroline. Its classification codes are: (1)Enzyme Inhibitors; (2)Indicators and reagents; (3)Mutation data; (4)Uncoupling agents. This chemical is used as a determination ferrous reagent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of 1,10-Phenanthroline,4,7-diphenyl- are: (1)ACD/LogP: 6.161; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.08; (4)ACD/LogD (pH 7.4): 6.16; (5)ACD/BCF (pH 5.5): 23389.81; (6)ACD/BCF (pH 7.4): 28283.67; (7)ACD/KOC (pH 5.5): 44172.85; (8)ACD/KOC (pH 7.4): 53415.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 107.304 cm3; (15)Molar Volume: 274.682 cm3; (16)Polarizability: 42.539×10-24cm3; (17)Surface Tension: 55.57 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 242.111 °C; (20)Enthalpy of Vaporization: 79.064 kJ/mol; (21)Boiling Point: 543.108 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 1,10-Phenanthroline,4,7-diphenyl-: this chemical can be prepared by 2-nitrochlorobenzene and beta-Chloropropiophenone by heating. This reaction will need reagents arsenic acid, sodium hydroxide and solvent dilute sulphuric acid.
Uses of 1,10-Phenanthroline,4,7-diphenyl-: it can be used to produce 2,9-bis-(4-methoxy-phenyl)-4,7-diphenyl-[1,10]phenanthroline. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you must avoid contact with eyes and wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2ccnc3c2ccc4c3nccc4c5ccccc5
(2)Std. InChI: InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
(3)Std. InChIKey: DHDHJYNTEFLIHY-UHFFFAOYSA-N