8-Bromo-2-chloroquinoline supplier

Name
8-Bromo-2-chloroquinoline
EINECS
CAS No. 163485-86-7
Article Data7
CAS DataBase
Density 1.673g/cm³
Solubility
Melting Point 113-114 °C(Solv: methanol (67-56-1))
Formula C₉H₅BrClN
Boiling Point 325.741 °C at 760 mmHg
Molecular Weight 242.502
Flash Point 150.803 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms quinoline, 8-bromo-2-chloro-;
PSA 12.89000
LogP 3.65070

8-Bromo-2-chloroquinoline Specification

The 8-Bromo-2-chloroquinoline with cas registry number of 163485-86-7, has the systematic name of 8-bromo-2-chloroquinoline. And its IUPAC name is the same one.

Physical properties about this chemical are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 261; (6)ACD/BCF (pH 7.4): 261; (7)ACD/KOC (pH 5.5): 1867; (8)ACD/KOC (pH 7.4): 1867; (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: 1.68; (14)Molar Refractivity: 54.772 cm³; (15)Molar Volume: 144.909 cm³; (16)Polarizability: 21.713×10^-24cm³; (17)Surface Tension: 53.343 dyne/cm; (18)Enthalpy of Vaporization: 54.532 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc2ccc(Cl)nc12;
(2)InChI: InChI=1/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H;
(3)InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H;
(5)Std. InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYSA-N

Product Name

8-Bromo-2-chloroquinoline

8-Bromo-2-chloroquinoline Specification

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