Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide |
EINECS | N/A |
CAS No. | 74420-06-7 | Density | 1.684 g/cm3 |
PSA | 87.07000 | LogP | 2.02780 |
Solubility | N/A | Melting Point |
229-230.5 °C (decomp) |
Formula | C7H5N3O3 | Boiling Point | 463.331 °C at 760 mmHg |
Molecular Weight | 179.135 | Flash Point | 234.015 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25-36/37 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Nitro-1H-pyrrolo[2,3-b]pyridine 7-oxide;4-Nitro-1H-pyrrolo[2,3-b]pyridine-7-oxyde; |
Article Data | 7 |
The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide is 74420-06-7. The systematic name is 4-nitro-1H-pyrrolo[2,3-b]pyridine 7-oxide. In addition, the molecular formula is C7H5N3O3 and the molecular weight is 179.13. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide are: (1)ACD/LogP: 0.36; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15; (5)ACD/KOC (pH 7.4): 15; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 87.07 Å2; (10)Index of Refraction: 1.748; (11)Molar Refractivity: 43.225 cm3; (12)Molar Volume: 106.361 cm3; (13)Polarizability: 17.136 ×10-24cm3; (14)Surface Tension: 81.966 dyne/cm; (15)Density: 1.684 g/cm3; (16)Flash Point: 234.015 °C; (17)Enthalpy of Vaporization: 69.679 kJ/mol; (18)Boiling Point: 463.331 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc[n+]([O-])c2nccc12
(2)InChI: InChI=1/C7H5N3O3/c11-9-4-2-6(10(12)13)5-1-3-8-7(5)9/h1-4,8H
(3)InChIKey: AFJMMGUFUOHNCQ-UHFFFAOYAE