Basic Information | Post buying leads | Suppliers |
Name |
2,2':6',2''-Terpyridine,5-methyl-4'-nitro- (9CI) |
EINECS | N/A |
CAS No. | 221247-34-3 | Density | 1.283 g/cm3 |
PSA | 84.49000 | LogP | 3.94540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H12N4O2 | Boiling Point | 475.1 °C at 760 mmHg |
Molecular Weight | 292.29 | Flash Point | 241.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methyl-4'-nitro-2,2':6',2''-terpyridin; |
The 2,2':6',2''-Terpyridine,5-methyl-4'-nitro- (9CI), also known as 5-Methyl-4'-nitro-2,2':6',2''-terpyridin, is the organic compound with the formula C16H12N4O2. With the CAS registry number 221247-34-3, its systematic name is called 5-Methyl-4'-nitro-2,2':6',2''-terpyridine.
Physical properties of 2,2':6',2''-Terpyridine,5-methyl-4'-nitro- (9CI): (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.79; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.63; (7)Molar Refractivity: 81.08 cm3; (8)Molar Volume: 227.7 cm3; (9)Surface Tension: 58.3 dyne/cm; (10)Density: 1.283 g/cm3; (11)Flash Point: 241.1 °C; (12)Enthalpy of Vaporization: 71.03 kJ/mol; (13)Boiling Point: 475.1 °C at 760 mmHg; (14)Vapour Pressure: 9.82E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(nc1)c2cc(cc(n2)c3ccccn3)[N+](=O)[O-]
(2)InChI: InChI=1/C16H12N4O2/c1-11-5-6-14(18-10-11)16-9-12(20(21)22)8-15(19-16)13-4-2-3-7-17-13/h2-10H,1H3
(3)InChIKey: CMHMHIQQUZIFAG-UHFFFAOYAN