5-Chloro-2-hydroisoquinolin-1-one supplier

Name
5-chloroisoquinolin-1(2H)-one
EINECS
CAS No. 24188-73-6
Article Data7
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₉H₆ClNO
Boiling Point 427.061 °C at 760 mmHg
Molecular Weight 179.603
Flash Point 212.079 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloroisoquinolin-1(2H)-one;
PSA 33.12000
LogP 2.59380

5-Chloro-2-hydroisoquinolin-1-one Specification

The 5-Chloro-2-hydroisoquinolin-1-one has the CAS registry number 24188-73-6. This chemical's molecular formula is C₉H₆ClNO and molecular weight is 179.603. What's more, its systematic name is 5-chloroisoquinolin-1(2H)-one.

Physical properties of 5-Chloro-2-hydroisoquinolin-1-one are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 158; (8)ACD/KOC (pH 7.4): 158; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 46.404 cm³; (15)Molar Volume: 134.038 cm³; (16)Polarizability: 18.396×10^-24cm³; (17)Surface Tension: 46.856 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 212.079 °C; (20)Enthalpy of Vaporization: 68.197 kJ/mol; (21)Boiling Point: 427.061 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2\C=C/NC1=O
(2)InChI: InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
(3)InChIKey: GICPXUYMHMNYAJ-UHFFFAOYSA-N

Product Name

5-chloroisoquinolin-1(2H)-one

5-Chloro-2-hydroisoquinolin-1-one Specification

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