CAS No.348-36-7,ETHYL 5-FLUOROINDOLE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	348-36-7
Name:	ETHYL 5-FLUOROINDOLE-2-CARBOXYLATE
Article Data:	29

Formula:	C₁₁H₁₀FNO₂
Molecular Weight:	207.204
Synonyms:	5-Fluoro-1H-indole-2-carboxylic acid ethylester;5-Fluoroindole-2-carboxylic acid ethyl ester;Indole-2-carboxylicacid, 5-fluoro-, ethyl ester (8CI);
Density:	1.291 g/cm³
Melting Point:	146-150 °C
Boiling Point:	345.9 °C at 760 mmHg
Flash Point:	163 °C
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	42.09000
LogP:	2.48370

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Specification

This chemical is called Ethyl 5-fluoroindole-2-carboxylate, and its systematic name is ethyl 5-fluoro-1H-indole-2-carboxylate. With the molecular formula of C₁₁H₁₀FNO₂, its CAS registry number is 348-36-7. Additionally, its product categories are Indoles and Derivatives; Indole; Heterocyclic Compounds; Heterocyclic Building Blocks.

Other characteristics of the Ethyl 5-fluoroindole-2-carboxylate can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.69; (6)ACD/BCF (pH 7.4): 146.69; (7)ACD/KOC (pH 5.5): 1236.87; (8)ACD/KOC (pH 7.4): 1236.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 54.92 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 21.77×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 163 °C; (20)Enthalpy of Vaporization: 59 kJ/mol; (21)Boiling Point: 345.9 °C at 760 mmHg; (22)Vapour Pressure: 5.98E-05 mmHg at 25°C.

Uses of this chemical: The Ethyl 5-fluoroindole-2-carboxylate could react with iodoethane, and obtain the 1-ethyl-5-fluoro-1H-indole-2-carboxylic acid ethyl ester. This reaction needs the reagent of K₂CO₃, and the solvent of dimethylformamide. The yield is 39 %. In addition, this reaction should be taken for 10 hours at the temperature of 80-90 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. Don't breathe dust. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc2c(cc1)nc(c2)C(=O)OCC
2.InChI: InChI=1/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
3.InChIKey: VIKOQTQMWBKMNA-UHFFFAOYAL