3-Bromo-4-chloro-5-nitropyridine supplier

Name
3-BROMO-4-CHLORO-5-NITROPYRIDINE
EINECS
CAS No. 31872-63-6
Article Data14
CAS DataBase
Density 1.936 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitro-4-chloro-5-bromopyridine;
PSA 58.71000
LogP 2.92890

3-Bromo-4-chloro-5-nitropyridine 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

Product Name

3-BROMO-4-CHLORO-5-NITROPYRIDINE

3-Bromo-4-chloro-5-nitropyridine Specification

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