5-Isoquinolinecarboxaldehyde (80278-67-7)

The Isoquinoline-5-carbaldehyde with the CAS number 80278-67-7 is also called 5-Isoquinolinecarboxaldehyde. Its molecular formula is C₁₀H₇NO. This chemical belongs to the following product categories: (1)Aldehyde; (2)Isoquinoline Derivertives; (3)Building Blocks; (4)Isoquinoline; (5)Building Blocks; (6)Heterocyclic Building Blocks; (7)Isoquinolines.

The properties of the Isoquinoline-5-carbaldehyde are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.251; (4)ACD/LogD (pH 7.4): 1.295; (5)ACD/BCF (pH 5.5): 5.133; (6)ACD/BCF (pH 7.4): 5.674; (7)ACD/KOC (pH 5.5): 109.037; (8)ACD/KOC (pH 7.4): 120.522; (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: 1.687; (14)Molar Refractivity: 48.939 cm³; (15)Molar Volume: 128.439 cm³; (16)Polarizability: 19.401×10^-24cm³; (17)Surface Tension: 55.34 dyne/cm; (18)Enthalpy of Vaporization: 57.442 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnccc2c(c1)C=O
(2)InChI: InChI=1/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
(3)InChIKey: ILRSABOCKMOFGW-UHFFFAOYAB