Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(3-Pyridyl)-2-chloropyrimidine |
EINECS | N/A |
CAS No. | 483324-01-2 | Density | 1.309 g/cm3 |
PSA | 38.67000 | LogP | 2.19200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6ClN3 | Boiling Point | 399.5 °C at 760 mmHg |
Molecular Weight | 191.62 | Flash Point | 227.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-4-(3-pyridyl)pyrimidine;2-Chloro-4-(pyridin-3-yl)pyrimidine; |
Article Data | 19 |
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