3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy- supplier

Name
4-CHLORO-6,7-DIMETHOXY-QUINOLINE-3-CARBONITRILE
EINECS
CAS No. 214470-55-0
Article Data17
CAS DataBase
Density 1.361 g/cm³
Solubility
Melting Point 220-223 °C
Formula C₁₂H₉ClN₂O₂
Boiling Point 404.22 °C at 760 mmHg
Molecular Weight 248.669
Flash Point 198.266 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-3-cyano-6,7-dimethoxyquinoline;
PSA 55.14000
LogP 2.77708

3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy- Specification

The 3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy-, with the CAS registry number 214470-55-0, is also known as 4-Chlor-6,7-dimethoxychinolin-3-carbonitril. This chemical's molecular formula is C₁₂H₉ClN₂O₂ and molecular weight is 248.66506. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloro-6,7-dimethoxyquinoline-3-carbonitrile.

Physical properties about 3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy- are: (1)ACD/LogP: 3.06; (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): 45; (6)ACD/BCF (pH 7.4): 45; (7)ACD/KOC (pH 5.5): 531; (8)ACD/KOC (pH 7.4): 531; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.14 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 64.233 cm³; (15)Molar Volume: 182.688 cm³; (16)Surface Tension: 59.713 dyne/cm; (17)Density: 1.361 g/cm³; (18)Flash Point: 198.266 °C; (19)Enthalpy of Vaporization: 65.563 kJ/mol; (20)Boiling Point: 404.22 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2cc(OC)c(OC)cc2ncc1C#N
(2) InChI: InChI=1/C12H9ClN2O2/c1-16-10-3-8-9(4-11(10)17-2)15-6-7(5-14)12(8)13/h3-4,6H,1-2H3
(3) InChIKey: HMLOMVBFQJAMCN-UHFFFAOYAC

Product Name

4-CHLORO-6,7-DIMETHOXY-QUINOLINE-3-CARBONITRILE

3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy- Specification

Related Products

Hot Products