Thiopheneacetic acid, ethyl ester


Chemical Name: Thiopheneacetic acid, ethyl ester
CAS Number: 57382-97-5
Product Number: AG00E9J5(AGN-PC-0JM09X)
Synonyms:
MDL No:
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288

Identification/Properties


Properties
MP:
0.7℃ (approx)
BP:
225.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.509-1.511
Computed Properties
Molecular Weight:
170.226g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
170.04g/mol
Monoisotopic Mass:
170.04g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2-(thiophen-2-yl)acetate plays a crucial role in chemical synthesis as a versatile building block. This compound is commonly utilized in organic reactions to introduce the thiophene-2-yl functional group into various molecules. It serves as a key intermediate in the preparation of numerous pharmaceuticals, agrochemicals, and advanced materials. With its unique structural properties, Ethyl 2-(thiophen-2-yl)acetate enables chemists to tailor the properties of final products for specific applications in the fields of drug discovery, material science, and chemical research. Its strategic incorporation in synthetic pathways provides a pathway to access complex molecular structures with enhanced properties, making it an indispensable tool in modern organic synthesis.