2-Bromo-5-fluoro-3-nitropyrdine supplier

Name
2-BROMO-5-FLUORO-3-NITROPYRIDINE
EINECS
CAS No. 652160-72-0
Article Data8
CAS DataBase
Density 1.923 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₅H₂BrFN₂O₂
Boiling Point 227.3 °C at 760 mmHg
Molecular Weight 220.985
Flash Point 91.2 °C
Transport Information
Appearance Yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-5-fluoro-3-nitropyridine;
PSA 58.71000
LogP 2.41460

2-Bromo-5-fluoro-3-nitropyrdine Specification

The IUPAC name of 2-Bromo-5-fluoro-3-nitropyrdine is 2-bromo-5-fluoro-3-nitropyridine. With the CAS registry number 652160-72-0, it is also named as Pyridine,2-bromo-5-fluoro-3-nitro-. In addition, its molecular formula is C₅H₂BrFN₂O₂ and its molecular weight is 220.984.

The other characteristics of 2-Bromo-5-fluoro-3-nitropyrdine can be summarized as: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.67; (6)ACD/BCF (pH 7.4): 3.67; (7)ACD/KOC (pH 5.5): 88.34; (8)ACD/KOC (pH 7.4): 88.34; (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: 1.586; (14)Molar Refractivity: 38.57 cm³; (15)Molar Volume: 114.8 cm³; (16)Polarizability: 15.29×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.923 g/cm³; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 44.5 kJ/mol; (21)Boiling Point: 227.3 °C at 760 mmHg; (22)Vapour Pressure: 0.118 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1cc(F)cnc1Br
(2)InChI: InChI=1/C5H2BrFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
(3)InChIKey: XJFDIIHIXNIWQH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H2BrFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
(5)Std. InChIKey: XJFDIIHIXNIWQH-UHFFFAOYSA-N

Product Name

2-BROMO-5-FLUORO-3-NITROPYRIDINE

2-Bromo-5-fluoro-3-nitropyrdine Specification

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