3-Quinolinecarbonitrile,4-chloro- supplier

Name
4-CHLORO-QUINOLINE-3-CARBONITRILE
EINECS
CAS No. 69875-49-6
Article Data4
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point
Formula C₁₀H₅ClN₂
Boiling Point 348.234 °C at 760 mmHg
Molecular Weight 188.61
Flash Point 164.406 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-3-cyanoquinoline;
PSA 36.68000
LogP 2.75988

3-Quinolinecarbonitrile,4-chloro- Specification

The 3-Quinolinecarbonitrile,4-chloro-, with the CAS registry number 69875-49-6, is also known as 4-Chloro-quinoline-3-carbonitrile. This chemical's molecular formula is C₁₀H₅ClN₂ and molecular weight is 188.61. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloroquinoline-3-carbonitrile.

Physical properties about 3-Quinolinecarbonitrile,4-chloro- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 390; (8)ACD/KOC (pH 7.4): 390; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 51.503 cm³; (15)Molar Volume: 138.405 cm³; (16)Surface Tension: 63.439 dyne/cm; (17)Density: 1.363 g/cm³; (18)Flash Point: 164.406 °C; (19)Enthalpy of Vaporization: 59.26 kJ/mol; (20)Boiling Point: 348.234 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 3-Quinolinecarbonitrile,4-chloro-: it is used to produce other chemicals. For example, it is used to produce 4-Morpholin-4-yl-quinoline-3-carbonitrile. The reaction occurs with reagent Ethanol and other condition of heating for 30min. The yield is 78 %.

3-Quinolinecarbonitrile,4-chloro- is used to produce 4-Morpholin-4-yl-quinoline-3-carbonitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2ccccc2ncc1C#N
(2) InChI: InChI=1/C10H5ClN2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,6H
(3) InChIKey: HCXMIOZRXOIQHX-UHFFFAOYAM

Product Name

4-CHLORO-QUINOLINE-3-CARBONITRILE

3-Quinolinecarbonitrile,4-chloro- Specification

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