8-Bromoquinoline

Details:

1.Introduction of 16567-18-3

8-Bromoquinoline has its CAS registry number of 16567-18-3. Its synonyms are rarechem ak ml 0146, 8-bromoquinoline, 8-bromoquioline, quinoline, 8-bromo-. It is a kind of light yellow liquid with purity of 98.0% which is used as blocks, bromides, heterocycles, quinoline series, quinolines, quinazolines and derivatives, halides, quinolines, isoquinolines & quinoxalines, quinoline&isoquinoline, quinoline derivertives, halogenated, organohalides, quinoline, quinolines, isoquinolines & quinoxalines, building blocks, halogenated heterocycles, heterocyclic building blocks, quinolines, quinolinesheterocyclic building blocks.

2.Properties of 16567-18-3

ACD/LogP: 2.603
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.60
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 5.5): 55.93
ACD/BCF (pH 7.4): 55.97
ACD/KOC (pH 5.5): 620.15
ACD/KOC (pH 7.4): 620.56
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
Polar Surface Area: 12.89?²
Index of Refraction: 1.674
Molar Refractivity: 49.877 cm³
Molar Volume: 132.958 cm³
Polarizability: 19.773 10-24cm³
Surface Tension: 51.2540016174316 dyne/cm
Density: 1.565 g/cm³
Flash Point: 132.763 °C
Enthalpy of Vaporization: 52.155 kJ/mol
Boiling Point: 302.999 °C at 760 mmHg
Vapour Pressure: 0.0020000000949949 mmHg at 25°C

3.Structure Descriptors of 16567-18-3

(1)InChI: InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
(2)InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC2=C(C(=C1)Br)N=CC=C2

4.Safety Information of 16567-18-3

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36-37/39
WGK Germany: 3
Hazard Note: Irritant