CAS No.230-07-9,4,7-Phenanthroline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	230-07-9
Name:	4,7-Phenanthroline

Formula:	C₁₂H₈N₂
Molecular Weight:	180.209
Synonyms:	1,8-Diazaphenanthrene;5,6,3',2'-Pyridoquinoline;NSC 35680;Pseudophenanthroline;Pyrido[3,2-f]quinoline;p-Phenanthroline;
Density:	1.25 g/cm³
Melting Point:	172-174 °C(lit.)
Boiling Point:	365.1 °C at 760 mmHg
Flash Point:	164.8 °C
Solubility:	1.442g/L(temperature not stated)
Hazard Symbols:	Xn
Risk Codes:	22-41-36/37/38
Safety:	26-39-36
PSA:	25.78000
LogP:	2.78300

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Specification

The IUPAC name of this chemical is 4,7-phenanthroline. With the CAS registry number 230-07-9, it is also named as 1,8-Diazaphenanthrene. The product's categories are Heterocyclic Compounds; Heterocyclic Building Blocks; N-Containing. And the molecular formula is C₁₂H₈N₂. In addition, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 4,7-Phenanthroline can be summarized as: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 20.02; (6)ACD/BCF (pH 7.4): 21.26; (7)ACD/KOC (pH 5.5): 292.17; (8)ACD/KOC (pH 7.4): 310.35; (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: 144.1 cm³; (16)Surface Tension: 61.2 dyne/cm; (17)Vapour Pressure: 3.38E-05 mmHg at 25°C; (18)Exact Mass: 180.068748; (19)MonoIsotopic Mass: 180.068748; (20)Topological Polar Surface Area: 25.8; (21)Heavy Atom Count: 14; (22)Complexity: 183.

Uses of 4,7-Phenanthroline: It can react with 1,4-dibromo-butane to get 4-(4-bromobutyl)-4,7-phenanthrolinium bromide. This reaction needs reagent NaHCO₃ and solvent ethanol by heating. The reaction time is 18 hours. The yield is 47%.

People can use the following data to convert to the molecule structure.
1. SMILES:n3c2ccc1ncccc1c2ccc3
2. InChI:InChI=1/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H
3. InChIKey:DATYUTWESAKQQM-UHFFFAOYAM