-
Name
6-CHLORO-2-(4-CHLOROPHENYL)-4-QUINOLINE CARBOXYLIC ACID
- EINECS
- CAS No. 126088-20-8
- Article Data4
- CAS DataBase
- Density 1.456 g/cm3
- Solubility
- Melting Point 288
- Formula C16H9Cl2NO2
- Boiling Point 506.9 °C at 760 mmHg
- Molecular Weight 318.159
- Flash Point 260.4 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:Irritant;
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms 6-Chloro-2-(4-chlorophenyl)quinoline-4-carboxylicacid;4-quinolinecarboxylic acid, 6-chloro-2-(4-chlorophenyl)-;
- PSA 50.19000
- LogP 4.90680
4-Quinolinecarboxylicacid, 6-chloro-2-(4-chlorophenyl)- Specification
The 4-Quinolinecarboxylicacid, 6-chloro-2-(4-chlorophenyl)-, with the CAS registry number 126088-20-8, has the systematic name of 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C16H9Cl2NO2.
The characteristics of 4-Quinolinecarboxylicacid, 6-chloro-2-(4-chlorophenyl)- are as followings: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 2.56; (7)ACD/KOC (pH 5.5): 17.65; (8)ACD/KOC (pH 7.4): 8.71; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 83.49 cm3; (15)Molar Volume: 218.4 cm3; (16)Polarizability: 33.1×10-24cm3; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.456 g/cm3; (19)Flash Point: 260.4 °C; (20)Enthalpy of Vaporization: 81.81 kJ/mol; (21)Boiling Point: 506.9 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc3ccc(c1nc2ccc(Cl)cc2c(c1)C(=O)O)cc3
(2)InChI: InChI=1/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
(3)InChIKey: ICGJQZNTTPOWLN-UHFFFAOYAF
Related Products
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