CAS No.31872-63-6,3-BROMO-4-CHLORO-5-NITROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31872-63-6
Name:	3-BROMO-4-CHLORO-5-NITROPYRIDINE
Article Data:	14
Cas Database

Formula:	C₅H₂BrClN₂O₂
Molecular Weight:	237.44
Synonyms:	3-Nitro-4-chloro-5-bromopyridine;
Density:	1.936 g/cm³
Melting Point:	49-50 °C
Boiling Point:	284.6 °C at 760 mmHg
Flash Point:	125.9 °C
PSA:	58.71000
LogP:	2.92890

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Specification

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