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CAS No.: | 60186-16-5 |
---|---|
Name: | 5-CHLORO-2-FLUORO-3-NITROPYRIDINE |
Molecular Structure: | |
Formula: | C5H2ClFN2O2 |
Molecular Weight: | 176.53 |
Synonyms: | 5-Chloro-2-fluoro-3-nitropyridine; |
EINECS: | 256-495-9 |
Density: | 1.595g/cm3 |
Melting Point: | 23 °C |
Boiling Point: | 254.744 °C at 760 mmHg |
Flash Point: | 107.866 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38-22 |
Safety: | 26-36 |
PSA: | 58.71000 |
LogP: | 2.30550 |
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The 5-Chloro-2-fluoro-3-nitropyridine, with CAS registry number 60186-16-5, belongs to the following product categories: (1)Pyridine; (2)Pyridines. It has the systematic name of 5-chloro-2-fluoro-3-nitro-pyridine. Besides this, it is also called Pyridine, 5-chloro-2-fluoro-3-nitro-. And the chemical formula of this chemical is C5H2ClFN2O2.
Physical properties of 5-Chloro-2-fluoro-3-nitropyridine: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.254; (6)ACD/BCF (pH 7.4): 4.254; (7)ACD/KOC (pH 5.5): 98.108; (8)ACD/KOC (pH 7.4): 98.108; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 35.778 cm3; (15)Molar Volume: 110.659 cm3; (16)Polarizability: 14.184×10-24cm3; (17)Surface Tension: 53.945 dyne/cm; (18)Enthalpy of Vaporization: 47.23 kJ/mol; (19)Vapour Pressure: 0.027 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-2-fluoro-3-nitropyridine irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1N(=O)=O)F)Cl
(2)InChI: InChI=1/C5H2ClFN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
(3)InChIKey: QYRFYYRMUFOIKW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H2ClFN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
(5)Std. InChIKey: QYRFYYRMUFOIKW-UHFFFAOYSA-N