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2-Chloro-3-fluoro-4-nitropyridine N-oxide

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Name

2-Chloro-3-fluoro-4-nitropyridine N-oxide

EINECS -0
CAS No. 101664-56-6 Density 1.748 g/cm3
PSA 71.28000 LogP 2.33900
Solubility Insoluble in water. Melting Point 176-178 °C
Formula C5H2ClFN2O3 Boiling Point 428.758 °C at 760 mmHg
Molecular Weight 192.534 Flash Point 213.106 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39-45 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 101664-56-6 (2-CHLORO-3-FLUORO-4-NITROPYRIDINE N-OXIDE) Hazard Symbols R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system a
Synonyms

2-chloro-3-fluoro-4-nitropyridin-1-ol;2-Chloro-3-fluoro-4-nitropyridine-n-oxide;2-chloro-3-fluoro-4-nitropyridine 1-oxide;2-Chlor-3-fluor-4-nitropyridin-1-oxid;

Article Data 2

2-Chloro-3-fluoro-4-nitropyridine N-oxide Specification

The 2-Chloro-3-fluoro-4-nitropyridine N-oxide, with the CAS registry number 101664-56-6, is also known as Pyridine, 2-chloro-3-fluoro-4-nitro-, 1-oxide. It belongs to the product category of Pyridine. This chemical's molecular formula is C5H2ClFN2O3 and molecular weight is 192.53. Its IUPAC name and systematic name are the same which is called 2-chloro-3-fluoro-4-nitro-1-oxidopyridin-1-ium.

Physical properties about 2-Chloro-3-fluoro-4-nitropyridine N-oxide are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.066; (4)ACD/LogD (pH 7.4): 0.066; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.887; (8)ACD/KOC (pH 7.4): 25.887; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 37.974 cm3; (14)Molar Volume: 110.149 cm3; (15)Surface Tension: 60.24 dyne/cm; (16)Density: 1.748 g/cm3; (17)Melting Point: 176-178 °C; (18)Flash Point: 213.106 °C; (19)Enthalpy of Vaporization: 65.75 kJ/mol; (20)Boiling Point: 428.758 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. Please do not breathe its dust. 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 suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C[N+](=C(C(=C1[N+](=O)[O-])F)Cl)[O-]
(2)InChI: InChI=1S/C5H2ClFN2O3/c6-5-4(7)3(9(11)12)1-2-8(5)10/h1-2H
(3)InChIKey: IQKSCEDCDQGAAO-UHFFFAOYSA-N

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