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230-46-6

Basic Information
CAS No.: 230-46-6
Name: 1,7-Phenanthroline
Article Data: 19
Molecular Structure:
Molecular Structure of 230-46-6 (1,7-Phenanthroline)
Formula: C12H8N2
Molecular Weight: 180.209
Synonyms: AKOS 90061;1,7-PHENANTHROLINE;PHENANTHROLINE;M-PHENANTHROLINE;1,5-Diazaphenanthrene;4,10-Phenanthroline;NSC 35679;Pyrido[2,3-f]quinoline
EINECS: 205-936-5
Density: 1.25 g/cm3
Melting Point: 79-81 °C(lit.)
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 164.8 °C
Solubility: It is soluble in water, ethanol, ether and benzene.
Hazard Symbols: HarmfulXn
Risk Codes: 22-41
Safety: 26-36/39
Transport Information: UN 2811 6.1/PG 3
PSA: 25.78000
LogP: 2.78300
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    Product Name: 1,7-PHENANTHROLINE MF: C12H8N2 MW: 180.21 EINECS: 625-267-6 Mol File: 230-46-6.mol 1,7-PHENANTHROLINE Structure 1,7-PHENANTHROLINE Chemical Properties Melting point 79-81 °C (lit.) Boiling point 303.03°C

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Specification

The CAS register number of 1,7-Phenanthroline is 230-46-6. It also can be called as Pyrido[2,3-f]quinoline and the IUPAC name about this chemical is 1,7-phenanthroline. The molecular formula about this chemical is C12H8N2 and the molecular weight is 180.21. It belongs to the following product categories, such as Heterocyclic Building Blocks; N-Containing; Others and so on.

Physical properties about 1,7-Phenanthroline are: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 46.76; (5)ACD/BCF (pH 7.4): 47.59; (6)ACD/KOC (pH 5.5): 542.94; (7)ACD/KOC (pH 7.4): 552.51; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78Å2; (10)Index of Refraction: 1.74; (11)Molar Refractivity: 58.12 cm3; (12)Molar Volume: 144.1 cm3; (13)Polarizability: 23.04x10-24cm3; (14)Surface Tension: 61.2 dyne/cm; (15)Enthalpy of Vaporization: 58.73 kJ/mol; (16)Boiling Point: 365.1 °C at 760 mmHg; (17)Vapour Pressure: 3.38E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-ethoxycarbonyl-7,8-dihydro-1,7-phenanthroline-8-carbonitrile. This reaction will need reagent HBr and solvent acetic acid. The reaction time is 3 hour(s) at heating. The yield is about 56%.

Uses of 1,7-Phenanthroline: it can be used to produce [1,7]phenanthroline-8-carbonitrile with hydrocyanic acid; potassium salt at temperature. This reaction will need reagent benzenesulfonyl chloride, catalyst benzyltriethylammonium chloride and solvent CH2Cl2, H2O with reaction time of 3 hours. The yield is about 60.5%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed, it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing and eye/face protection. In case of 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: n3c2c(ccc1ncccc12)ccc3
(2)InChI: InChI=1/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
(3)InChIKey: OZKOMUDCMCEDTM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
(5)Std. InChIKey: OZKOMUDCMCEDTM-UHFFFAOYSA-N