Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-3-chloroisoquinoline |
EINECS | N/A |
CAS No. | 552331-06-3 | Density | 1.673 g/cm3 |
PSA | 12.89000 | LogP | 3.65070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H5BrClN | Boiling Point | 349.497 °C at 760 mmHg |
Molecular Weight | 242.502 | Flash Point | 165.17 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
6-BROMO-3-CHLOROISOQUINOLINE;6-Bromo-3-chloro-2-azanaphthalene |
Article Data | 3 |
The 6-Bromo-3-chloroisoquinoline is an organic compound with the formula C9H5BrClN. The IUPAC name of this chemical is 6-bromo-3-chloroisoquinoline. With the CAS registry number 552331-06-3, it is also named as Isoquinoline, 6-bromo-3-chloro-. The product's categories are Building Blocks; Isoquinoline.
Physical properties about 6-Bromo-3-chloroisoquinoline are: (1)ACD/LogP: 3.13; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 226; (5)ACD/BCF (pH 7.4): 226; (6)ACD/KOC (pH 5.5): 1684; (7)ACD/KOC (pH 7.4): 1684; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.68; (11)Molar Refractivity: 54.772 cm3; (12)Molar Volume: 144.909 cm3; (13)Polarizability: 21.713×10-24cm3; (14)Surface Tension: 53.343 dyne/cm; (15)Density: 1.673 g/cm3; (16)Flash Point: 165.17 °C; (17)Enthalpy of Vaporization: 57.053 kJ/mol; (18)Boiling Point: 349.497 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2cnc(Cl)cc2c1
(2)InChI: InChI=1/C9H5BrClN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H
(3)InChIKey: HYCCUWZOOADPGN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H
(5)Std. InChIKey: HYCCUWZOOADPGN-UHFFFAOYSA-N