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4-methyl-1,10-phenanthroline

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Name

4-methyl-1,10-phenanthroline

EINECS 625-820-1
CAS No. 31301-28-7 Density 1.211 g/cm3
PSA 25.78000 LogP 3.09140
Solubility Soluble in water. Melting Point 143-145 °C(lit.)
Formula C13H10N2 Boiling Point 381.2 °C at 760 mmHg
Molecular Weight 194.236 Flash Point 170.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 31301-28-7 (4-methyl-1,10-phenanthroline) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4-Methyl-1,10-phenanthroline;

Article Data 1

4-methyl-1,10-phenanthroline Specification

The CAS register number of 4-methyl-1,10-phenanthroline is 31301-28-7. It also can be called as 4-methylpyridino[3,2-h]quinoline and the IUPAC name about this chemical is 4-methyl-1,10-phenanthroline. The molecular formula about this chemical is C13H10N2 and the molecular weight is 194.23.

Physical properties about 4-methyl-1,10-phenanthroline are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 6.78; (5)ACD/BCF (pH 7.4): 28.46; (6)ACD/KOC (pH 5.5): 90.04; (7)ACD/KOC (pH 7.4): 377.86; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78Å2; (10)Index of Refraction: 1.714; (11)Molar Refractivity: 62.94 cm3; (12)Molar Volume: 160.3 cm3; (13)Polarizability: 24.95x10-24cm3; (14)Surface Tension: 57 dyne/cm; (15)Flash Point: 170.7 °C; (16)Enthalpy of Vaporization: 60.48 kJ/mol; (17)Boiling Point: 381.2 °C at 760 mmHg; (18)Vapour Pressure: 1.13E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-[8]quinolylamine and propane-1,2,3-triol. This reaction will need reagent as2O5, aqueous H2SO4.

Uses of 4-methyl-1,10-phenanthroline: it can be used to produce 1,10-Phenanthrolin-4-aldehyd. This reaction will need reagent selenium dioxide and solvent dioxane, H2O with reaction time of 3 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: n1c3c(c(cc1)C)ccc2cccnc23
(2)InChI: InChI=1/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
(3)InChIKey: NAZZKEZTSOOCSZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
(5)Std. InChIKey: NAZZKEZTSOOCSZ-UHFFFAOYSA-N

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