7-Chloroisoquinoline supplier

Name
7-Chloroisoquinoline
EINECS -0
CAS No. 34784-06-0
Article Data5
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 44-45 °C
Formula C₉H₆ClN
Boiling Point 289.5 °C at 760 mmHg
Molecular Weight 163.60
Flash Point 156.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoquinoline, 7-chloro-;
PSA 12.89000
LogP 2.88820

7-Chloroisoquinoline Specification

The 7-Chloroisoquinoline, with the CAS registry number 34784-06-0, is also known as Isoquinoline, 7-chloro-. This chemical's molecular formula is C₉H₆ClN and molecular weight is 163.6. Its IUPAC name is called 7-chloroisoquinoline.

Physical properties of 7-Chloroisoquinoline: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 45.25; (6)ACD/BCF (pH 7.4): 51.13; (7)ACD/KOC (pH 5.5): 514.48; (8)ACD/KOC (pH 7.4): 581.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 47.08 cm³; (14)Molar Volume: 128.7 cm³; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.27 g/cm³; (17)Flash Point: 156.4 °C; (18)Enthalpy of Vaporization: 50.76 kJ/mol; (19)Boiling Point: 289.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00382 mmHg at 25°C.

Uses of 7-Chloroisoquinoline: it can be used to produce 7-phenyl-isoquinoline at ambient temperature. This reaction will need solvent tetrahydrofuran with reaction time of 16 hours hours. The yield is about 69%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)Cl
(2)InChI: InChI=1S/C9H6ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
(3)InChIKey: PIOJSCVWTGEZLN-UHFFFAOYSA-N

Product Name

7-Chloroisoquinoline

7-Chloroisoquinoline Specification

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