Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-4-chloro-5-nitropyridine |
EINECS | N/A |
CAS No. | 31872-63-6 | Density | 1.936 g/cm3 |
PSA | 58.71000 | LogP | 2.92890 |
Solubility | N/A | Melting Point |
49-50 °C |
Formula | C5H2BrClN2O2 | Boiling Point | 284.6 °C at 760 mmHg |
Molecular Weight | 237.44 | Flash Point | 125.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Nitro-4-chloro-5-bromopyridine; |
Article Data | 14 |
The IUPAC name of 3-Bromo-4-chloro-5-nitropyridine is 3-bromo-4-chloro-5-nitropyridine. With the CAS registry number 31872-63-6, it is also named as 3-Nitro-4-chloro-5-bromopyridine. The product's categories are Pyridine; Boronic Acid. In addition, its molecular formula is C5H2BrClN2O2 and molecular weight is 237.44.
The other characteristics of 3-Bromo-4-chloro-5-nitropyridine can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å2; (9)Index of Refraction: 1.627; (10)Molar Refractivity: 43.47 cm3; (11)Molar Volume: 122.6 cm3; (12)Polarizability: 17.23×10-24cm3; (13)Surface Tension: 61.3 dyne/cm; (14)Density: 1.936 g/cm3; (15)Flash Point: 125.9 °C; (16)Melting point: 49-50 °C; (17)Enthalpy of Vaporization: 50.26 kJ/mol; (18)Boiling Point: 284.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00506 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1c(cncc1Br)[N+]([O-])=O
(2)InChI: InChI=1/C5H2BrClN2O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H
(3)InChIKey: FTQGEZJTBYMEIH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H2BrClN2O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H
(5)Std. InChIKey: FTQGEZJTBYMEIH-UHFFFAOYSA-N