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3002-78-6

Basic Information
CAS No.: 3002-78-6
Name: 5-METHYL-1,10-PHENANTHROLINE
Article Data: 2
Molecular Structure:
Molecular Structure of 3002-78-6 (5-METHYL-1,10-PHENANTHROLINE)
Formula: C13H10N2
Molecular Weight: 194.236
Synonyms: 5-Methyl-o-phenanthroline;5-Methylphenanthroline;NSC 4272;
EINECS: 221-099-9
Density: 1.211 g/cm3
Melting Point: 113-114 °C(lit.)
Boiling Point: 378.4 °C at 760 mmHg
Flash Point: 169.1 °C
Appearance: light yellow to beige powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36/37/39-26
PSA: 25.78000
LogP: 3.09140
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Specification

The 1,10-Phenanthroline,5-methyl-, with the CAS registry number 3002-78-6, is also known as 5-Methylphenanthroline. It belongs to the product categories of Analytical Chemistry; Chelating Reagents; Phenanthrolines; Heterocyclic Building Blocks; N-Containing; Others. Its EINECS registry number is 221-099-9. This chemical's molecular formula is C13H10N2 and molecular weight is 194.2319. Its IUPAC name is called 5-methyl-1,10-phenanthroline. What's more, The product should be sealed and stored in cool, dry place.

Physical properties of 1,10-Phenanthroline,5-methyl-: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 15.67; (5)ACD/BCF (pH 7.4): 29.35; (6)ACD/KOC (pH 5.5): 208.11; (7)ACD/KOC (pH 7.4): 389.7; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.714; (10)Molar Refractivity: 62.94 cm3; (11)Molar Volume: 160.3 cm3; (12)Surface Tension: 57 dyne/cm; (13)Density: 1.211 g/cm3; (14)Flash Point: 169.1 °C; (15)Enthalpy of Vaporization: 60.17 kJ/mol; (16)Boiling Point: 378.4 °C at 760 mmHg; (17)Vapour Pressure: 1.38E-05 mmHg at 25°C.

Uses of 1,10-Phenanthroline,5-methyl-: it can be used to produce C31H26N2O12 by heating. This reaction will need solvent methanol with reaction time of 24 hours. The yield is about 44%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3
(2)InChI: InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
(3)InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N