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CAS No.: | 956003-79-5 |
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Name: | 5-BROMO-8-CHLOROISOQUINOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H5BrClN |
Molecular Weight: | 242.502 |
Synonyms: | 5-Bromo-8-chloroisoquinoline;Bromochloroisoquinoline; |
Density: | 1.673 g/cm3 |
Boiling Point: | 341.4 °C at 760 mmHg |
Flash Point: | 160.3 °C |
PSA: | 12.89000 |
LogP: | 3.65070 |
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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