1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester supplier

Name
ETHYL 5-CHLORO-3-PHENYL-1H-INDOLE-2-CARBOXYLATE
EINECS
CAS No. 21139-32-2
Article Data11
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point 176-178 °C
Formula C₁₇H₁₄ClNO₂
Boiling Point 503.8 °C at 760 mmHg
Molecular Weight 299.757
Flash Point 258.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-3-phenyl-1h-indole-2-carboxylic acid ethyl ester;
PSA 42.09000
LogP 4.66500

1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester Specification

The 1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester, with the CAS registry number of 21139-32-2, is also known as 5-Chloro-3-phenyl-1h-indole-2-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₇H₁₄ClNO₂ and molecular weight is 299.75. What's more, its IUPAC name is Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate. In addition, this chemical is an irritant.

Physical properties about 1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 84.42 cm³; (9)Molar Volume: 233.5 cm³; (10)Polarizability: 33.46×10^-24 cm³; (11)Surface Tension: 51.1 dyne/cm; (12)Density: 1.283 g/cm³; (13)Flash Point: 258.5 °C; (14)Enthalpy of Vaporization: 77.32 kJ/mol; (15)Boiling Point: 503.8 °C at 760 mmHg; (16)Vapour Pressure: 2.81E-10 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nc(c2c3ccccc3)C(=O)OCC
(2) InChI: InChI=1/C17H14ClNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3
(3) InChIKey: FSLOLRKVZPTMHC-UHFFFAOYAM

Product Name

ETHYL 5-CHLORO-3-PHENYL-1H-INDOLE-2-CARBOXYLATE

1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester Specification

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