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CAS No.: | 21427-61-2 |
---|---|
Name: | 5-Chloro-2-hydroxy-3-nitropyridine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H3ClN2O3 |
Molecular Weight: | 174.543 |
Synonyms: | 2-Pyridinol,5-chloro-3-nitro- (8CI);2-Hydroxy-3-nitro-5-chloropyridine;5-Chloro-3-nitro-2-pyridinol;NSC 64258; |
EINECS: | -0 |
Density: | 1.664 g/cm3 |
Melting Point: | 234 °C |
Boiling Point: | 316 °C at 760 mmHg |
Flash Point: | 125.6 °C |
Appearance: | yellow solid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-41-22 |
Safety: | 26-36/37/39 |
PSA: | 78.94000 |
LogP: | 1.87200 |
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The 5-Chloro-2-hydroxy-3-nitropyridine, with the CAS registry number 21427-61-2, is also known as 2-Hydroxy-3-nitro-5-chloropyridine. It belongs to the product categories of Blocks; NitroCompounds; Pyridines; Chloropyridines; Halopyridines; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C5H3ClN2O3 and molecular weight is 174.54. What's more, its systematic name is 5-Chloro-3-nitro-2(1H)-pyridinone. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of 5-Chloro-2-hydroxy-3-nitropyridine are: (1)ACD/LogP: 1.622; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): -0.70; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.72; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 78.94 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 37.666 cm3; (15)Molar Volume: 104.879 cm3; (16)Polarizability: 14.932×10-24cm3; (17)Surface Tension: 74.2 dyne/cm; (18)Density: 1.664 g/cm3; (19)Flash Point: 144.912 °C; (20)Enthalpy of Vaporization: 57.949 kJ/mol; (21)Boiling Point: 316 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful if swallowed and has a risk of serious damage to eyes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])\C1=C\C(\Cl)=C/NC1=O
(2)Std. InChI: InChI=1S/C5H3ClN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
(3)Std. InChIKey: QVGQNICXNZMXQA-UHFFFAOYSA-N