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CAS No.: | 1480-87-1 |
---|---|
Name: | 2-Fluoro-3-nitropyridine |
Molecular Structure: | |
Formula: | C5H3FN2O2 |
Molecular Weight: | 142.089 |
Synonyms: | 2-fluoro-3-nitro-pyridine; |
EINECS: | 675-588-0 |
Density: | 1.439 g/cm3 |
Melting Point: | 18℃ |
Boiling Point: | 248.091 °C at 760 mmHg |
Flash Point: | 103.842 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | T,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 58.71000 |
LogP: | 1.65210 |
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The Pyridine, 2-fluoro-3-nitro-, with the CAS registry number 1480-87-1, has the systematic name and IUPAC name of 2-fluoro-3-nitro-pyridine. It belongs to the product category of Pyridine. And the molecular formula of this chemical is C5H3FN2O2.
The physical properties of Pyridine, 2-fluoro-3-nitro- are as followings: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.602; (4)ACD/LogD (pH 7.4): 0.602; (5)ACD/BCF (pH 5.5): 1.688; (6)ACD/BCF (pH 7.4): 1.688; (7)ACD/KOC (pH 5.5): 50.636; (8)ACD/KOC (pH 7.4): 50.636; (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: 1.538; (14)Molar Refractivity: 30.883 cm3; (15)Molar Volume: 98.709 cm3; (16)Polarizability: 12.243×10-24cm3; (17)Surface Tension: 51.191 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 103.842 °C; (20)Enthalpy of Vaporization: 46.563 kJ/mol; (21)Boiling Point: 248.091 °C at 760 mmHg; (22)Vapour Pressure: 0.039 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(nc1)F)N(=O)=O
(2)InChI: InChI=1/C5H3FN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
(3)InChIKey: QDKIYDGHCFZBGC-UHFFFAOYAH