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74420-07-8

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Basic Information
CAS No.: 74420-07-8
Name: 1H-Pyrrolo[2,3-b]pyridine, 3-nitro-, 7-oxide
Article Data: 3
Molecular Structure:
Molecular Structure of 74420-07-8 (1H-Pyrrolo[2,3-b]pyridine, 3-nitro-, 7-oxide)
Formula: C7H5N3O3
Molecular Weight: 179.135
Synonyms: NSC 288718;3-Nitro-1H-pyrrolo[2,3-b]pyridin-7-oxid;3-Nitro-1H-pyrrolo[2,3-b]pyridine-7-oxyde;
Density: 1.68 g/cm3
Melting Point: 276-277.5 °C (decomp)
Boiling Point: 463.3 °C at 760 mmHg
Flash Point: 234 °C
PSA: 87.07000
LogP: 2.02780
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Specification

The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine,3-nitro-,7-oxide is 74420-07-8. The IUPAC name is 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine. In addition, the molecular formula is C7H5N3O3 and the molecular weight is 179.13. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1) #H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 87.07 Å2; (5)Index of Refraction: 1.747; (6)Molar Refractivity: 43.22 cm3; (7)Molar Volume: 106.3 cm3; (8)Polarizability: 17.13 ×10-24cm3; (9)Surface Tension: 81.9 dyne/cm; (10)Density: 1.68 g/cm3; (11)Flash Point: 234 °C; (12)Enthalpy of Vaporization: 69.68 kJ/mol; (13)Boiling Point: 463.3 °C at 760 mmHg; (14)Vapour Pressure: 2.54E-08 mmHg at 25°C.

Preparation of 1H-Pyrrolo[2,3-b]pyridine,3-nitro-,7-oxide: it can be prepared by 3-Bromo-1H-pyrrolo[2,3-b]pyridine 7-oxide. This reaction will need reagents aq.HNO3 and H2SO4. The reaction time is 2 hours at reaction temperature of 55-60 °C. The yield is about 21%.

1H-Pyrrolo[2,3-b]pyridine,3-nitro-,7-oxide can be prepared by 3-Bromo-1H-pyrrolo[2,3-b]pyridine 7-oxide

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c[nH]c2[n+](c1)[O-])[N+](=O)[O-]
(2)InChI: InChI=1/C7H5N3O3/c11-9-3-1-2-5-6(10(12)13)4-8-7(5)9/h1-4,8H
(3)InChIKey: GQTWAGYNMJJEDX-UHFFFAOYAT