Ethyl 2-thiophenecarboxylate - CAS 2810-04-0

Catalog:	BB019767
Product Name:	Ethyl 2-thiophenecarboxylate
CAS:	2810-04-0
Synonyms:	ethyl thiophene-2-carboxylate

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	ethyl thiophene-2-carboxylate
Description:	Ethyl 2-thiophenecarboxylate (CAS# 2810-04-0) is a useful research chemical.
Molecular Weight:	156.20
Molecular Formula:	C7H8O2S
Canonical SMILES:	CCOC(=O)C1=CC=CS1
InChI:	InChI=1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChI Key:	JZGZKRJVTIRPOK-UHFFFAOYSA-N
Boiling Point:	218 °C
Purity:	98 %
Density:	1.162 g/cm³
Appearance:	Clear light yellow liquid
MDL:	MFCD00005436
LogP:	1.92480

Publication Number	Title	Priority Date
WO-2021193834-A1	Mammal repellent	20200325
CN-111187299-B	Thieno [3,4-b ] thiophene-based organic photosensitizer and preparation method and application thereof	20200121
CN-110229313-A	A kind of soluble thiophene copolymers and its preparation method and application with electron-withdrawing group	20190610
WO-2020241498-A1	Luminescent europium complex	20190529
TW-202016107-A	Thiophene derivatives for treating diseases caused by IgE	20180621

PMID	Publication Date	Title	Journal
19747834	20091001	Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools	Bioorganic & medicinal chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
12003557	20020517	Addition of heteroaromatics to alkylidenecyclopropanes catalyzed by palladium	The Journal of organic chemistry
11922792	20020404	A novel photochromic system of 4,5-dialkenylthiophenes constructed by the smarium diiodide promoted coupling reactions of thiophene-2-carboxylate with aryl ketones	Organic letters

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Related Functional Groups

Thiophenes

[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
[40106-16-9]
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

GHS Hazard Statement:	H312 (98.88%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.02450067
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.02450067
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3