Isoquinoline, 5-bromo-8-chloro- supplier

Name
5-BROMO-8-CHLOROISOQUINOLINE
EINECS
CAS No. 956003-79-5
Article Data2
CAS DataBase
Density 1.673 g/cm³
Solubility
Melting Point
Formula C₉H₅BrClN
Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 242.502
Flash Point 160.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-8-chloroisoquinoline;Bromochloroisoquinoline;
PSA 12.89000
LogP 3.65070

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

Product Name

5-BROMO-8-CHLOROISOQUINOLINE

Isoquinoline, 5-bromo-8-chloro- Specification

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