5,6-Difluoro-2-indolecarboxylic acid ether ester supplier

Name
5,6-DIFLUORO-2-INDOLE CARBOXYLIC ACID ETHER ESTER
EINECS
CAS No. 169674-34-4
Article Data2
CAS DataBase
Density 1.367 g/cm³
Solubility
Melting Point
Formula C₁₁H₉F₂NO₂
Boiling Point 351.2 °C at 760 mmHg
Molecular Weight 225.19
Flash Point 166.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,6-Difluoro-2-indolecarboxylic acid ether ester;
PSA 42.09000
LogP 2.62280

5,6-Difluoro-2-indolecarboxylic acid ether ester Specification

The 5,6-Difluoro-2-indolecarboxylic acid ether ester with the cas number 169674-34-4 is also called 1H-Indole-2-carboxylicacid, 5,6-difluoro-, ethyl ester. The systematic name is ethyl 5,6-difluoro-1H-indole-2-carboxylate. Its molecular formula is C₁₁H₉F₂NO₂. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 137.19; (6)ACD/BCF (pH 7.4): 137.19; (7)ACD/KOC (pH 5.5): 1178.96; (8)ACD/KOC (pH 7.4): 1178.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.09 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 54.92 cm³; (15)Molar Volume: 164.6 cm³; (16)Polarizability: 21.77×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Enthalpy of Vaporization: 59.59 kJ/mol; (19)Vapour Pressure: 4.18×10^-5 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc2cc(F)c(F)cc2n1
(2)InChI: InChI=1/C11H9F2NO2/c1-2-16-11(15)10-4-6-3-7(12)8(13)5-9(6)14-10/h3-5,14H,2H2,1H3
(3)InChIKey: OVSOYWROLOCQIS-UHFFFAOYAG

Product Name

5,6-DIFLUORO-2-INDOLE CARBOXYLIC ACID ETHER ESTER

5,6-Difluoro-2-indolecarboxylic acid ether ester Specification

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