ChemicalBook--->CAS DataBase List--->4282-31-9

4282-31-9

4282-31-9 Structure

4282-31-9 Structure
IdentificationMore
[Name]

2,5-Thiophenedicarboxylic acid
[CAS]

4282-31-9
[Synonyms]

2,5-DICARBOXYTHIOPHENE
2,5-THIOPHENEDICARBOXYLIC ACID
OTAVA-BB BB7013911425
RARECHEM AL BE 0623
THIOPHENE-2,5-DICARBOXYLIC ACID
Thiophene-2,5-Dicarboxyl Acid
Thiophene-2,5-dicarboxylicacid,97%
2,5-THIOPHENEDICARBOXYLIC
Thiophene-,'-dicarboxylic acid
[EINECS(EC#)]

224-284-2
[Molecular Formula]

C6H4O4S
[MDL Number]

MFCD00016896
[Molecular Weight]

172.16
[MOL File]

4282-31-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

>300 °C (lit.)
[Boiling point ]

272.46°C (rough estimate)
[density ]

1.473 (estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

2.76±0.10(Predicted)
[color ]

White to Light yellow
[Water Solubility ]

Very soluble in water.
[BRN ]

136781
[InChI]

InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
[InChIKey]

YCGAZNXXGKTASZ-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)SC(C(O)=O)=CC=1
[CAS DataBase Reference]

4282-31-9(CAS DataBase Reference)
[EPA Substance Registry System]

4282-31-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->Chlorobenzene-->Sodium sulfide-->Adipic acid-->Sodium sulfide nonahydrate-->diethyl thiophene-2,5-dicarboxylate-->2,5-Dimethylthiophene-->2,5-Thiophenedicarboxylic acid dimethyl ester-->Thiophene-2,5-dicarbonitrile-->2,5-Diiodothiophene-->1-(5-Methyl-2-thienyl)ethan-1-one-->2,5-bis(chloroMethyl)thiophene
[Preparation Products]

2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene-->5-Bromo-2-thiophenecarboxylic acid-->5-(trifluoroMethyl)-2-Thiophenecarboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Thiophene-2,5-dicarboxylic acid(4282-31-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

2,5-Thiophenedicarboxylic acid may be used as a thiophene based linker in the preparation of magnesium coordination networks. It may also be used as a precursor in the synthesis of 2,5-bis-benzoxazoyl-thiophene (EBF).
It may be used in the synthesis of the following:
  • new cobalt(II) thiophenedicarboxylate coordination polymer
  • novel mesogenic thiophene based supramolecular liquid crystals
  • two novel coordination polymers with the formula {[Ln2(2,5-tdc)3(dmso)2]H2O}n (Ln = Tb(III) and Dy(III)), (2,5-tdc2 = 2,5-thiophenedicarboxylate and dmso = dimethylsulfoxide)
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 2109, 1950 DOI: 10.1021/ja01161a065
[General Description]

2,5-Thiophenedicarboxylic acid (2,5-TDCA, H2TDC) is an important building block in the preparation of fluorescent brightening agent, fungicides and anti-cancer drug. It has been generated by chlorination of adipic acid using thionyl chloride. Due to its diverse coordination modes, it is an excellent choice as an aromatic linker to generate coordination networks. The enthalpies of combustion and sublimation of 2,5-thiophenedicarboxylic acid have been evaluated by rotary-bomb combustion calorimetry.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Thiophenedicarboxylic acid(4282-31-9)MS
2,5-Thiophenedicarboxylic acid(4282-31-9)1HNMR
2,5-Thiophenedicarboxylic acid(4282-31-9)13CNMR
2,5-Thiophenedicarboxylic acid(4282-31-9)IR1
2,5-Thiophenedicarboxylic acid(4282-31-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Thiophene-2,5-dicarboxylic acid, 97%(4282-31-9)
[Sigma Aldrich]

4282-31-9(sigmaaldrich)
[TCI AMERICA]

2,5-Thiophenedicarboxylic Acid,>98.0%(GC)(T)(4282-31-9)
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