3,4-Thiophenedicarboxylic acid - CAS 4282-29-5

Catalog:	BB025231
Product Name:	3,4-Thiophenedicarboxylic acid
CAS:	4282-29-5
Synonyms:	thiophene-3,4-dicarboxylic acid
Application:	Synthetic precursor for organic electronics materials.

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	thiophene-3,4-dicarboxylic acid
Description:	Synthetic precursor for organic electronics materials.
Molecular Weight:	172.16
Molecular Formula:	C6H4O4S
Canonical SMILES:	C1=C(C(=CS1)C(=O)O)C(=O)O
InChI:	InChI=1S/C6H4O4S/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key:	ZWWLLYJRPKYTDF-UHFFFAOYSA-N
Boiling Point:	405.9 °C at 760 mmHg
Melting Point:	227-231 °C
Purity:	98 %
Density:	1.655 g/cm³
Appearance:	Yellow to beige-pinkish or light brown crystalline
MDL:	MFCD00067079
LogP:	1.14450

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate

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:	0.7