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 ℃ at 760 mmHg
Melting Point:	227-231 ℃
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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Thiophenes

[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[308831-94-9]
Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
[350989-54-7]
Ethyl 2-amino-4-(3-chlorophenyl)-5-methylthiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-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:	0.7