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EINECS 200-629-2
CAS No. 66-71-7 Density 1.25 g/cm3
PSA 25.78000 LogP 2.78300
Solubility slightly soluble in water Melting Point 114-117°C(lit.)
Formula C12H8N2 Boiling Point 365.089 °C at 760 mmHg
Molecular Weight 180.21 Flash Point 164.756 °C
Transport Information UN 2811 6.1/PG 3 Appearance off-white powder
Safety 45-60-61 Risk Codes 25-50/53
Molecular Structure Molecular Structure of 66-71-7 (1,10-Phenanthroline) Hazard Symbols ToxicT,DangerousN



1,10-Phenanthroline Consensus Reports

Reported in EPA TSCA Inventory.

1,10-Phenanthroline Specification

The 1,10-Phenanthroline, with the CAS registry number 66-71-7 and EINECS registry number 200-629-2, has the systematic name of 1,10-o-Phenanthroline. And the molecular formula of this chemical is C12H8N2. It is a kind of off-white powder, and belongs to the following product categories: Industrial/Fine Chemicals; Heterocyclic Building Blocks; N-Containing.

The physical properties of 1,10-Phenanthroline are as following: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.085; (4)ACD/LogD (pH 7.4): 2.244; (5)ACD/BCF (pH 5.5): 20.669; (6)ACD/BCF (pH 7.4): 29.861; (7)ACD/KOC (pH 5.5): 273.539; (8)ACD/KOC (pH 7.4): 395.176; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 58.12 cm3; (15)Molar Volume: 144.113 cm3; (16)Polarizability: 23.041×10-24cm3; (17)Surface Tension: 61.295 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 164.756 °C; (20)Enthalpy of Vaporization: 58.73 kJ/mol; (21)Boiling Point: 365.089 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and uses of 1,10-Phenanthroline: It can be prepared by heating the o-phenylenediamine and glycerol, nitrobenzene and sulfuric acid. And it is often used as electroplating additives and analytical reagent. It is also used as redox indicator. What's more, it is used as reagent for the determination of iron, palladium, vanadium, copper and iron.

Chemical reaction: It is used in the synthesis of other chemicals. For example, it can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline. This reaction will need reagent H2O, and the solvents MnO2 and toluene. The reaction time is 16 hours with temperature of 20°C, and the yield is about 62%.

1,10-Phenanthroline can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline

You should be cautious while dealing with this chemical. It is toxic if swallowed. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment . Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccc3cccnc3c2nc1
(2)InChI: InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 137, Pg. 1, 1962.

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