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Name |
Indolizine,2-phenyl- |
EINECS | 246-925-5 |
CAS No. | 25379-20-8 | Density | 1.05 g/cm3 |
PSA | 4.41000 | LogP | 3.60630 |
Solubility | N/A | Melting Point |
211-214 °C |
Formula | C14H11N | Boiling Point | 319.47°C (rough estimate) |
Molecular Weight | 193.248 | Flash Point | N/A |
Transport Information | N/A | Appearance | white to beige fine crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Phenylindolizine;2-Phenylpyrrocoline;NSC 54311; |
Article Data | 36 |
The Indolizine,2-phenyl-, with the CAS registry number 25379-20-8, is also known as 2-Phenylpyrrocoline. Its EINECS number is 246-925-5. This chemical's molecular formula is C14H11N and molecular weight is 193.24. What's more, its systematic name is 2-Phenylindolizine.
Physical properties of Indolizine,2-phenyl- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1472.92; (6)ACD/BCF (pH 7.4): 1495.5; (7)ACD/KOC (pH 5.5): 6419.18; (8)ACD/KOC (pH 7.4): 6517.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.41 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 63.37 cm3; (15)Molar Volume: 183.1 cm3; (16)Polarizability: 25.12 10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.05 g/cm3.
Preparation: this chemical can be prepared by 2-methyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium and bromide under the heating condition. This reaction will need reagent DMFDMA and solvent dimethylformamide with the reaction time of 10 min. The yield is about 97%.
Uses of Indolizine,2-phenyl-: it can be used to produce 2-(4-nitro-phenyl)-indolizine at 0°C. It will need reagent HNO3 and H2SO4. The yield is about 50%.
When you are using this chemical, please be cautious about it as the following:
In case of contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2cc(cn12)c3ccccc3
(2)Std. InChI: InChI=1S/C14H11N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-11H
(3)Std. InChIKey: JMCYJDYOEWQZDE-UHFFFAOYSA-N