2-Propynoic acid,3-(4-chlorophenyl)-, ethyl ester supplier

Name
(4-CHLORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER
EINECS
CAS No. 20026-96-4
Article Data27
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 43-44 °C
Formula C₁₁H₉ClO₂
Boiling Point 293.5 °C at 760 mmHg
Molecular Weight 208.644
Flash Point 120.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propiolicacid, (p-chlorophenyl)-, ethyl ester (7CI,8CI);Ethyl(4-chlorophenyl)propiolate;Ethyl (p-chlorophenyl)propiolate;Ethyl4-chlorophenylpropynoate;(4-Chloro-phenyl)-propynoic acid ethyl ester;Ethyl 3-(4-chlorophenyl)prop-2-ynoate;
PSA 26.30000
LogP 2.25460

2-Propynoic acid,3-(4-chlorophenyl)-, ethyl ester Specification

The 2-Propynoic acid,3-(4-chlorophenyl)-, ethyl ester, with the CAS registry number 20026-96-4, is also known as (4-Chloro-phenyl)-propynoic acid ethyl ester. This chemical's molecular formula is C₁₁H₉ClO₂ and molecular weight is 208.64. What's more, its systematic name is Ethyl 3-(4-chlorophenyl)prop-2-ynoate.

Physical properties of 2-Propynoic acid,3-(4-chlorophenyl)-, ethyl ester are: (1)ACD/LogP: ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1118.35; (6)ACD/BCF (pH 7.4): 1118.35; (7)ACD/KOC (pH 5.5): 5293.83; (8)ACD/KOC (pH 7.4): 5293.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 54.59 cm³; (15)Molar Volume: 170 cm³; (16)Polarizability: 21.64×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 120.7 °C; (20)Enthalpy of Vaporization: 53.31 kJ/mol; (21)Boiling Point: 293.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00172 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C#CC(=O)OCC)cc1
(2)InChI: InChI=1S/C11H9ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2H2,1H3
(3)InChIKey: PSAMQLWFJMRMOG-UHFFFAOYSA-N

Product Name

(4-CHLORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER

2-Propynoic acid,3-(4-chlorophenyl)-, ethyl ester Specification

Related Products

Hot Products