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CAS No.: | 23056-44-2 |
---|---|
Name: | 3-NITRO-4-BROMOPYRIDINE |
Molecular Structure: | |
Formula: | C5H3BrN2O2 |
Molecular Weight: | 202.995 |
Synonyms: | 4-Bromo-3-nitropyridine; |
EINECS: | -0 |
Density: | 1.834 g/cm3 |
Boiling Point: | 239.975 °C at 760 mmHg |
Flash Point: | 98.934 °C |
PSA: | 58.71000 |
LogP: | 2.27550 |
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The Pyridine,4-bromo-3-nitro-, with the CAS registry number 23056-44-2, is also known as 3-Nitro-4-bromopyridine. It belongs to the product categories of Pharmacetical; Pyridine; Pyridines. This chemical's molecular formula is C5H3BrN2O2 and molecular weight is 202.99. Its systematic name is called 4-bromo-3-nitropyridine.
Physical properties of Pyridine,4-bromo-3-nitro-: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.63; (5)ACD/BCF (pH 7.4): 4.63; (6)ACD/KOC (pH 5.5): 104.31; (7)ACD/KOC (pH 7.4): 104.31; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.614; (11)Molar Refractivity: 38.57 cm3; (12)Molar Volume: 110.6 cm3; (13)Surface Tension: 59.4 dyne/cm; (14)Density: 1.833 g/cm3; (15)Flash Point: 98.9 °C; (16)Enthalpy of Vaporization: 45.75 kJ/mol; (17)Boiling Point: 240 °C at 760 mmHg; (18)Vapour Pressure: 0.0602 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1[N+](=O)[O-]
(2)InChI: InChI=1/C5H3BrN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
(3)InChIKey: KVZNAGBWCCVHKG-UHFFFAOYAR