-
Name
5,7-Dichloroquinoline
- EINECS
- CAS No. 4964-77-6
- Article Data4
- CAS DataBase
- Density 1.408 g/cm3
- Solubility
- Melting Point 116-117 °C
- Formula C9H5Cl2N
- Boiling Point 308.327 °C at 760 mmHg
- Molecular Weight 198.051
- Flash Point 169.116 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5,7-Dichloroquinoline
- PSA 12.89000
- LogP 3.54160
5,7-Dichloroquinoline Specification
The 5,7-Dichloroquinoline, with the CAS registry number 4964-77-6, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H5Cl2N.
The characteristics of 5,7-Dichloroquinoline are as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 350; (6)ACD/BCF (pH 7.4): 350; (7)ACD/KOC (pH 5.5): 2304; (8)ACD/KOC (pH 7.4): 2305; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 51.977 cm3; (15)Molar Volume: 140.674 cm3; (16)Polarizability: 20.605×10-24cm3; (17)Surface Tension: 51.579 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 169.116 °C; (20)Enthalpy of Vaporization: 52.708 kJ/mol; (21)Boiling Point: 308.327 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc2ncccc2c(Cl)c1
(2)InChI: InChI=1/C9H5Cl2N/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H
(3)InChIKey: SOYGNPWMLQHOGD-UHFFFAOYAS
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