Indole-5-carboxaldehyde

The IUPAC name of Indole-5-carboxaldehyde is 1H-indole-5-carbaldehyde. With the CAS registry number 1196-69-6, it is also named as 5-Formylindole. The product's categories are Aldehyde; Aldehydes; Blocks; Indoles Oxindoles; Indoles and Derivatives; Indole; Indoles; Building Blocks; Indole Derivatives; Simple Indoles; Heterocyclic Building Blocks. Besides, it is red crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C₉H₇NO and molecular weight is 145.16.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.09; (6)ACD/BCF (pH 7.4): 9.09; (7)ACD/KOC (pH 5.5): 169; (8)ACD/KOC (pH 7.4): 169; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.729; (13)Molar Refractivity: 45.28 cm³; (14)Molar Volume: 113.5 cm³; (15)Surface Tension: 59.8 dyne/cm; (16)Density: 1.278 g/cm³; (17)Flash Point: 166.8 °C; (18)Melting Point: 100-103 °C; (19)Enthalpy of Vaporization: 58.25 kJ/mol; (20)Boiling Point: 339.1 °C at 760 mmHg; (21)Vapour Pressure: 9.42E-05 mmHg at 25 °C.

Preparation of Indole-5-carboxaldehyde: this chemical can be prepared by 5-(Hydroxymethyl)-indol.



This reaction needs MnO₂ and CH₂Cl₂ at ambient temperature for 113 hours. The yield is 91.7 %.

Uses of Indole-5-carboxaldehyde: it can react with Tosylmethyl isocyanide to get 5-Oxazol-5-yl-1H-indole.



This reaction needs K₂CO₃ and Methanol by heating for 4 hours. The yield is 35 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC2=C(C=CN2)C=C1C=O
(2)InChI: InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
(3)InChIKey: ADZUEEUKBYCSEY-UHFFFAOYSA-N