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Isoquinoline, 5-bromo-8-chloro-

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Name

Isoquinoline, 5-bromo-8-chloro-

EINECS N/A
CAS No. 956003-79-5 Density 1.673 g/cm3
PSA 12.89000 LogP 3.65070
Solubility N/A Melting Point N/A
Formula C9H5BrClN Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 242.502 Flash Point 160.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 956003-79-5 (5-BROMO-8-CHLOROISOQUINOLINE) Hazard Symbols N/A
Synonyms

5-Bromo-8-chloroisoquinoline;Bromochloroisoquinoline;

Article Data 2

Isoquinoline, 5-bromo-8-chloro- Specification

The Isoquinoline, 5-bromo-8-chloro-, with the CAS registry number 956003-79-5, is also known as Bromochloroisoquinoline. It belongs to the product categories of Building Blocks; Isoquinoline. This chemical's molecular formula is C9H5BrClN and molecular weight is 242.5. What's more, its IUPAC name is 5-bromo-8-chloroisoquinoline. 

Physical properties of Isoquinoline, 5-bromo-8-chloro- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)#H bond acceptors: 1; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 12.89 Å2; (8)Index of Refraction: 1.68; (9)Molar Refractivity: 54.77 cm3; (10)Molar Volume: 144.9 cm3; (11)Polarizability: 21.71×10-24cm3; (12)Surface Tension: 53.3 dyne/cm; (13)Density: 1.673 g/cm3; (14)Flash Point: 160.3 °C; (15)Enthalpy of Vaporization: 56.19 kJ/mol; (16)Boiling Point: 341.4 °C at 760 mmHg; (17)Vapour Pressure: 0.000159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C2C=CN=CC2=C1Cl)Br
(2)InChI: InChI=1S/C9H5BrClN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
(3)InChIKey: RRKXGHIWLJDUIU-UHFFFAOYSA-N

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