Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloroquinazoline-6-carbonitrile |
EINECS | N/A |
CAS No. | 150449-97-1 | Density | 1.444 g/cm3 |
PSA | 49.57000 | LogP | 2.15488 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H4ClN3 | Boiling Point | 368.464 °C at 760 mmHg |
Molecular Weight | 189.604 | Flash Point | 176.641 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Quinazolinecarbonitrile, 4-chloro- |
Article Data | 5 |
The 4-Chloroquinazoline-6-carbonitrile is an organic compound with the molecular formula C9H4ClN3. Its CAS registry number is 150449-97-1. The IUPAC name of this chemical is called 4-Chloroquinazoline-6-carbonitrile. What's more, the molecular weight of this chemical is 189.605.
Physical properties about 4-Chloroquinazoline-6-carbonitrile are: (1)ACD/LogP: 1.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 97; (8)ACD/KOC (pH 7.4): 97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.57 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 49.302 cm3; (15)Molar Volume: 131.286 cm3; (16)Polarizability: 19.545×10-24 cm3; (17)Surface Tension: 74.849 dyne/cm; (18)Density: 1.444 g/cm3; (19)Flash Point: 176.641 °C; (20)Enthalpy of Vaporization: 61.512 kJ/mol; (21)Boiling Point: 368.464 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1c2cc(C#N)cc1
(2) InChI: InChI=1/C9H4ClN3/c10-9-7-3-6(4-11)1-2-8(7)12-5-13-9/h1-3,5H
(3) InChIKey: PQJUTOVJNYMGFX-UHFFFAOYAT