Indole-3-glyoxylyl chloride (22980-09-2)

The Indole-3-glyoxylyl chloride is an organic compound with the formula C₁₀H₆ClNO₂. The IUPAC name of this chemical is 2-(1H-indol-3-yl)-2-oxoacetyl chloride. With the CAS registry number 22980-09-2, it is also named as 1H-Indol-3-yl(oxo)acetyl chloride. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. Besides, it should be stored in a closed, cool, dry place.

Physical properties about Indole-3-glyoxylyl chloride are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.58; (5)ACD/BCF (pH 7.4): 12.58; (6)ACD/KOC (pH 5.5): 213.15; (7)ACD/KOC (pH 7.4): 213.15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.07 Å²; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 53.43 cm³; (14)Molar Volume: 141.9 cm³; (15)Polarizability: 21.18×10^-24cm³; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.463 g/cm³; (18)Flash Point: 204.1 °C; (19)Enthalpy of Vaporization: 66.68 kJ/mol; (20)Boiling Point: 413.9 °C at 760 mmHg; (21)Vapour Pressure: 4.63E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by oxalyl dichloride and indole. This reaction will need solvent diethyl ether. The reaction time is 1 hour with reaction temperature of 0 °C.

Uses of Indole-3-glyoxylyl chloride: it can be used to produce 1-indol-3-yloxoacetyl-indole at ambient temperature. It will need reagent NaH and solvent tetrahydrofuran, dimethylformamide with reaction time of 90 min. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and take off immediately all contaminated clothing. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C(=O)c2c1ccccc1nc2
(2)InChI: InChI=1/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H
(3)InChIKey: FPEGGKCNMYDNMW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H
(5)Std. InChIKey: FPEGGKCNMYDNMW-UHFFFAOYSA-N