4-(3-Pyridyl)-2-chloropyrimidine supplier

Name
4-(3-Pyridyl)-2-chloropyrimidine
EINECS
CAS No. 483324-01-2
Article Data19
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point
Formula C₉H₆ClN₃
Boiling Point 399.5 °C at 760 mmHg
Molecular Weight 191.62
Flash Point 227.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-(3-pyridyl)pyrimidine;2-Chloro-4-(pyridin-3-yl)pyrimidine;
PSA 38.67000
LogP 2.19200

4-(3-Pyridyl)-2-chloropyrimidine Specification

The 4-(3-Pyridyl)-2-chloropyrimidine, with the CAS registry number 483324-01-2, has the systematic name of 2-chloro-4-pyridin-3-ylpyrimidine. The molecular formula of the chemical is C₉H₆ClN₃. And it belongs to the category of Heterocyclic Building Blocks.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.67 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 50.01 cm³; (9)Molar Volume: 146.3 cm³; (10)Polarizability: 19.82×10^-24cm³; (11)Surface Tension: 55.2 dyne/cm; (12)Density: 1.309 g/cm³; (13)Flash Point: 227.7 °C; (14)Enthalpy of Vaporization: 62.49 kJ/mol; (15)Boiling Point: 399.5 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2nc(c1cnccc1)ccn2
(2)InChI: InChI=1/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
(3)InChIKey: MGQROXOMFRGAOY-UHFFFAOYAX

Product Name

4-(3-Pyridyl)-2-chloropyrimidine

4-(3-Pyridyl)-2-chloropyrimidine Specification

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