6-Bromo-3-chloroisoquinoline supplier

Name
6-Bromo-3-chloroisoquinoline
EINECS
CAS No. 552331-06-3
Article Data3
CAS DataBase
Density 1.673 g/cm³
Solubility
Melting Point
Formula C₉H₅BrClN
Boiling Point 349.497 °C at 760 mmHg
Molecular Weight 242.502
Flash Point 165.17 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-BROMO-3-CHLOROISOQUINOLINE;6-Bromo-3-chloro-2-azanaphthalene
PSA 12.89000
LogP 3.65070

6-Bromo-3-chloroisoquinoline Specification

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

Product Name

6-Bromo-3-chloroisoquinoline

6-Bromo-3-chloroisoquinoline Specification

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