3-bromo-5-nitro-4-pyridone supplier

Name
3-Bromo-4-hydroxy-5-nitropyridine
EINECS
CAS No. 31872-65-8
Article Data10
CAS DataBase
Density 1.98g/cm³
Solubility
Melting Point
Formula C₅H₃BrN₂O₃
Boiling Point 291.7 °C at 760 mmHg
Molecular Weight 218.994
Flash Point 130.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Bromo-4-hydroxy-5-nitropyridine;3-Bromo-5-nitropyridin-4-ol;
PSA 78.94000
LogP 1.98110

3-bromo-5-nitro-4-pyridone Specification

The 3-bromo-5-nitro-4-pyridone, with CAS registry number 31872-65-8, has the systematic name of 3-bromo-5-nitropyridin-4(1H)-one. Besides this, it is also called 4(1H)-Pyridinone, 3-bromo-5-nitro-. And the chemical formula of this chemical is C₅H₃BrN₂O₃.

Physical properties of 3-bromo-5-nitro-4-pyridone: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.06; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.13 Å²; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 40.04 cm³; (13)Molar Volume: 110.1 cm³; (14)Polarizability: 15.87×10^-24cm³; (15)Surface Tension: 65.7 dyne/cm; (16)Density: 1.98 g/cm³; (17)Flash Point: 130.2 °C; (18)Enthalpy of Vaporization: 53.11 kJ/mol; (19)Boiling Point: 291.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\[N+]([O-])=O)=C/N/C=C1/Br
(2)InChI: InChI=1/C5H3BrN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
(3)InChIKey: IIIJPRRVYYWKQW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H3BrN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
(5)Std. InChIKey: IIIJPRRVYYWKQW-UHFFFAOYSA-N

Product Name

3-Bromo-4-hydroxy-5-nitropyridine

3-bromo-5-nitro-4-pyridone Specification

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