6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester supplier

Name
6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester
EINECS
CAS No. 169674-00-4
Article Data12
CAS DataBase
Density 1.401 g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClFNO₂
Boiling Point 380.6 °C at 760 mmHg
Molecular Weight 241.65
Flash Point 184 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-5-fluoro-1H-indole-2-carboxylicacid ethyl ester;
PSA 42.09000
LogP 3.13710

6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Specification

The 6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester with its cas register number is 169674-00-4. It also can be called as 1H-Indole-2-carboxylicacid, 6-chloro-5-fluoro-, ethyl ester and the Systematic name about this chemical is ethyl 6-chloro-5-fluoro-1H-indole-2-carboxylate.

Physical properties about 6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 503.22; (5)ACD/BCF (pH 7.4): 503.21; (6)ACD/KOC (pH 5.5): 2988.95; (7)ACD/KOC (pH 7.4): 2988.95; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 42.09Å²; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 59.82 cm³; (14)Molar Volume: 172.4 cm³; (15)Polarizability: 23.71x10^-24cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Enthalpy of Vaporization: 62.88 kJ/mol; (18)Vapour Pressure: 5.39E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc2cc(F)c(Cl)cc2n1
(2)InChI: InChI=1/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-8(13)7(12)5-9(6)14-10/h3-5,14H,2H2,1H3
(3)InChIKey: KITAYCDBMMPIMA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-8(13)7(12)5-9(6)14-10/h3-5,14H,2H2,1H3
(5)Std. InChIKey: KITAYCDBMMPIMA-UHFFFAOYSA-N

Product Name

6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester

6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Specification

Related Products

Hot Products