2,5-Thiophenedicarboxylic acid - CAS 4282-31-9

Catalog:	BB025234
Product Name:	2,5-Thiophenedicarboxylic acid
CAS:	4282-31-9
Synonyms:	thiophene-2,5-dicarboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	thiophene-2,5-dicarboxylic acid
Description:	2,5-Dicarboxythiophene can be used as an interface modifier in TiO2/P3HT hybrid solar cells.
Molecular Weight:	172.16
Molecular Formula:	C6H4O4S
Canonical SMILES:	C1=C(SC(=C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key:	YCGAZNXXGKTASZ-UHFFFAOYSA-N
Boiling Point:	444.6 °C at 760 mmHg
Melting Point:	355-360 °C
Density:	1.655 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00016896
LogP:	1.14450

Publication Number	Title	Priority Date
WO-2021119808-A1	Antiviral compounds, compositions and methods of use	20191216
WO-2021045527-A1	Diol compound, polycarbonate, and method for producing same	20190905
WO-2021040455-A1	Novel aluminum-based metal-organic framework having three dimensional porous structure and comprising at least two types of ligands, preparation method therefor, and use thereof	20190828
WO-2021001520-A1	High performance lcp materials	20190704
EP-3730496-A1	Organometallic framework	20190422

PMID	Publication Date	Title	Journal
22904706	20120801	Poly[tetra-aqua-bis-(μ(4)-thio-phene-2,5-dicarboxyl-ato)(μ(2)-thio-phene-2,5-dicarboxyl-ato)dieuropium(III)]	Acta crystallographica. Section E, Structure reports online
22136232	20120102	Lanthanide-thiophene-2,5-dicarboxylate frameworks: ionothermal synthesis, helical structures, photoluminescent properties, and single-crystal-to-single-crystal guest exchange	Inorganic chemistry
21956186	20111121	Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid	Dalton transactions (Cambridge, England : 2003)
22219742	20111101	Poly[bis-(N,N-dimethyl-acetamide)-1κO,2κO-bis-(μ(4)-thio-phene-2,5-di-car-boxyl-ato-1:2:1':2'κO:O:O:O)dizinc]	Acta crystallographica. Section E, Structure reports online
21814666	20110921	Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks	Chemical communications (Cambridge, England)

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Related Functional Groups

Carbonyl Compounds

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.98302978
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.98302978
Rotatable Bond Count:	2
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3