5-CHLORO-3-METHYL-1H-INDOLE-2-CARBALDEHYDE

The 1H-Indole-2-carboxaldehyde, 5-chloro-3-methyl-, with the CAS registry number 40731-16-6, is also known as 5-Chloro-3-methyl-indole-2-carbaldehyde. This chemical's molecular formula is C₁₀H₈ClNO and molecular weight is 193.03. What's more, both its IUPAC name and systematic name are the same which is called 5-Chloro-3-methyl-1H-indole-2-carbaldehyde.

Physical properties about 1H-Indole-2-carboxaldehyde, 5-chloro-3-methyl- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.36; (6)ACD/BCF (pH 7.4): 80.36; (7)ACD/KOC (pH 5.5): 803.97; (8)ACD/KOC (pH 7.4): 803.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 55 cm³; (15)Molar Volume: 141.7 cm³; (16)Surface Tension: 56.8 dyne/cm; (17)Density: 1.365 g/cm³; (18)Flash Point: 182.3 °C; (19)Enthalpy of Vaporization: 62.57 kJ/mol; (20)Boiling Point: 377.8 °C at 760 mmHg; (21)Vapour Pressure: 6.56E-06 mmHg at 25 °C.

Uses of 1H-Indole-2-carboxaldehyde, 5-chloro-3-methyl-: it is used to produce other chemicals. For example, it can produce 5-Chloro-3-methyl-1H-indole-2-carbaldehyde oxime. The reaction occurs with reagents Hydroxylamine hydrochloride, NaOH and solvents ethanol, H₂O. It need heating for 2 hours. The yield is 65 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nc(C=O)c2C
(2) InChI: InChI=1S/C10H8ClNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3
(3) InChIKey: RXJKYRQUSPNHCJ-UHFFFAOYSA-N