1-Chloro-7-isoquinolinecarboxaldehyde supplier

Name
1-Chloroisoquinoline-7-carbaldehyde
EINECS
CAS No. 223671-53-2
Article Data4
CAS DataBase
Density 1.365 g/cm³
Solubility
Melting Point
Formula C₁₀H₆ClNO
Boiling Point 368.4 °C at 760 mmHg
Molecular Weight 191.617
Flash Point 176.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloroisoquinoline-7-carbaldehyde;
PSA 29.96000
LogP 2.70070

1-Chloro-7-isoquinolinecarboxaldehyde Specification

The 7-Isoquinolinecarboxaldehyde,1-chloro-, with CAS registry number 223671-53-2, has the systematic name of 1-chloroisoquinoline-7-carbaldehyde. Besides this, it is also called 1-Chloro-7-isoquinolinecarbaldehyde. And the chemical formula of this chemical is C₁₀H₆ClNO.

Physical properties of 7-Isoquinolinecarboxaldehyde,1-chloro-: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.27; (6)ACD/BCF (pH 7.4): 21.27; (7)ACD/KOC (pH 5.5): 310.45; (8)ACD/KOC (pH 7.4): 310.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 53.83 cm³; (15)Molar Volume: 140.3 cm³; (16)Polarizability: 21.34×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.364 g/cm³; (19)Flash Point: 176.6 °C; (20)Enthalpy of Vaporization: 61.5 kJ/mol; (21)Boiling Point: 368.4 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc2ccnc(Cl)c2c1
(2)InChI: InChI=1/C10H6ClNO/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-6H
(3)InChIKey: CIICCQLUDZKLTP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H6ClNO/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-6H
(5)Std. InChIKey: CIICCQLUDZKLTP-UHFFFAOYSA-N

Product Name

1-Chloroisoquinoline-7-carbaldehyde

1-Chloro-7-isoquinolinecarboxaldehyde Specification

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