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| CAS No.: | 2402-97-3 |
|---|---|
| Name: | 3-BROMOPYRIDINE-N-OXIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4BrNO |
| Molecular Weight: | 173.997 |
| Synonyms: | 3-Bromopyridine1-oxide;3-Bromopyridine N-oxide;3-Bromopyridine oxide; |
| Density: | 1.66 g/cm3 |
| Melting Point: | 40-42 °C |
| Boiling Point: | 336.2 °C at 760 mmHg |
| Flash Point: | 157.1 °C |
| Appearance: | yellow solid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 25.46000 |
| LogP: | 1.87760 |
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Specification
The Pyridine, 3-bromo-,1-oxide, with the CAS registry number 2402-97-3, is also known as 3-Bromopyridine 1-oxide. It belongs to the product categories of Pyridine; Aromatics Compounds; Aromatics; Heterocycles; Nitric Oxide Reagents; C5; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C5H4BrNO and molecular weight is 173.99536. Its IUPAC name is called 3-bromo-1-oxidopyridin-1-ium. This chemical is yellow solid.
Physical properties of Pyridine, 3-bromo-,1-oxide: (1)ACD/LogP: -0.43; (2)ACD/LogD (pH 5.5): -0.43; (3)ACD/LogD (pH 7.4): -0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.91; (7)ACD/KOC (pH 7.4): 13.91; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.59; (10)Molar Refractivity: 35.39 cm3; (11)Molar Volume: 104.7 cm3; (12)Surface Tension: 48 dyne/cm; (13)Density: 1.66 g/cm3; (14)Flash Point: 157.1 °C; (15)Enthalpy of Vaporization: 55.63 kJ/mol; (16)Boiling Point: 336.2 °C at 760 mmHg; (17)Vapour Pressure: 0.000223 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C[N+](=C1)[O-])Br
(2)InChI: InChI=1S/C5H4BrNO/c6-5-2-1-3-7(8)4-5/h1-4H
(3)InChIKey: YUIBFWHMRBJHNV-UHFFFAOYSA-N