Pyridine,2-bromo-6-(1H-pyrazol-1-yl)- supplier

Name
2-BROMO-6-(1H-PYRAZOL-1-YL)PYRIDINE
EINECS
CAS No. 123640-41-5
Article Data15
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point 66-68 °C
Formula C₈H₆BrN₃
Boiling Point 330.7 °C at 760 mmHg
Molecular Weight 224.06
Flash Point 153.8 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-6-(1-pyrazolyl)pyridine;2-Bromo-6-(1H-pyrazol-1-yl)pyridine;2-bromo-6-(1H-pyrazol-1-yl)pyridine;
PSA 30.71000
LogP 2.02980

Pyridine,2-bromo-6-(1H-pyrazol-1-yl)- Specification

The Pyridine,2-bromo-6-(1H-pyrazol-1-yl)-, with the CAS registry number 123640-41-5, has the systematic name of 2-bromo-6-(1H-pyrazol-1-yl)pyridine. It belongs to the following product categories: Blocks; Bromides; Pyridines. And the molecular formula of the chemical is C₈H₆BrN₃.

The characteristics of Pyridine,2-bromo-6-(1H-pyrazol-1-yl)- are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.17; (6)ACD/BCF (pH 7.4): 7.17; (7)ACD/KOC (pH 5.5): 142.57; (8)ACD/KOC (pH 7.4): 142.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 51.93 cm³; (15)Molar Volume: 137 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 55.05 kJ/mol; (21)Boiling Point: 330.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000314 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1nc(ccc1)n2nccc2
(2)InChI: InChI=1/C8H6BrN3/c9-7-3-1-4-8(11-7)12-6-2-5-10-12/h1-6H
(3)InChIKey: LPRJOZJWALGJGM-UHFFFAOYAX

Product Name

2-BROMO-6-(1H-PYRAZOL-1-YL)PYRIDINE

Pyridine,2-bromo-6-(1H-pyrazol-1-yl)- Specification

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