4-Chloroisoquinoline supplier

Name
4-Chloroisoquinoline
EINECS -0
CAS No. 1532-91-8
Article Data10
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 27.5-29.5 °C
Formula C₉H₆ClN
Boiling Point 276.204 °C at 760 mmHg
Molecular Weight 163.606
Flash Point 147.383 °C
Transport Information
Appearance Pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloroisoquinoline;
PSA 12.89000
LogP 2.88820

4-Chloroisoquinoline Specification

The Systematic name about this chemical is 4-Chloroisoquinoline. The cas register number of 4-Chloroisoquinoline is 1532-91-8. It also can be called as isoquinoline, 4-chloro-.

Physical properties about 4-Chloroisoquinoline are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.686; (4)ACD/LogD (pH 7.4): 2.689; (5)ACD/BCF (pH 5.5): 64.67; (6)ACD/BCF (pH 7.4): 65.075; (7)ACD/KOC (pH 5.5): 686.958; (8)ACD/KOC (pH 7.4): 691.269; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 47.082 cm³; (15)Molar Volume: 128.724 cm³; (16)Surface Tension: 49.319 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 147.383 °C; (19)Enthalpy of Vaporization: 49.4 kJ/mol; (20)Boiling Point: 276.204 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc2c(c1)cncc2Cl
2.InChI: InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
3.InChIKey: LBEQEEIDWHKVAR-UHFFFAOYAP
4.Std. InChI: InChI=1S/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

Product Name

4-Chloroisoquinoline

4-Chloroisoquinoline Specification

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