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CAS No.: | 1851-22-5 |
---|---|
Name: | 3-CHLOROPYRIDINE N-OXIDE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C5H4ClNO |
Molecular Weight: | 129.546 |
Synonyms: | 3-Chloropyridine1-oxide;3-Chloropyridine N-oxide;3-chloropyridine oxide; |
Density: | 1.27 g/cm3 |
Melting Point: | 57-58 °C |
Boiling Point: | 310 °C at 760 mmHg |
Flash Point: | 141.3 °C |
PSA: | 25.46000 |
LogP: | 1.76850 |
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The Pyridine, 3-chloro-,1-oxide, with the CAS registry number 1851-22-5, is also known as 3-Chloropyridin-1-ol. It belongs to the product categories of Pyridine; Pharmacetical; Pyridines. This chemical's molecular formula is C5H4ClNO and molecular weight is 129.54436. Its systematic name is called 3-chloropyridine 1-oxide.
Physical properties of Pyridine, 3-chloro-,1-oxide: (1)ACD/LogP: -0.61; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.15; (7)ACD/KOC (pH 7.4): 11.15; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.552; (10)Molar Refractivity: 32.44 cm3; (11)Molar Volume: 101.5 cm3; (12)Surface Tension: 43.8 dyne/cm; (13)Density: 1.27 g/cm3; (14)Flash Point: 141.3 °C; (15)Enthalpy of Vaporization: 52.88 kJ/mol; (16)Boiling Point: 310 °C at 760 mmHg; (17)Vapour Pressure: 0.00113 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1cccc(Cl)c1
(2)InChI: InChI=1/C5H4ClNO/c6-5-2-1-3-7(8)4-5/h1-4H
(3)InChIKey: NEXUNCTUUDERGR-UHFFFAOYAW