ChemicalBook--->CAS DataBase List--->6964-21-2

6964-21-2

6964-21-2 Structure

6964-21-2 Structure
IdentificationMore
[Name]

3-Thiopheneacetic acid
[CAS]

6964-21-2
[Synonyms]

3-THIENYLACETIC ACID
3-THIOPHENEACETIC ACID
RARECHEM AL BO 0216
THIEN-3-YLACETIC ACID
THIOPHENE-3-ACETIC ACID
TIMTEC-BB SBB004147
Thiophene-3-aceticacid,98%
3-Thiopheneacetic
3-Thienylacetic acid 98%
2-(3-Thienyl)acetic Acid
3-Thiopheneethanoic acid
Thiophen-3-ylacetic acid
3-Thiopheneacetic acid ,98%
[EINECS(EC#)]

230-166-1
[Molecular Formula]

C6H6O2S
[MDL Number]

MFCD00005473
[Molecular Weight]

142.18
[MOL File]

6964-21-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

73-76 °C(lit.)
[Boiling point ]

129°C 2,5mm
[density ]

1.365 (estimate)
[refractive index ]

1.5300 (estimate)
[Fp ]

129°C/2.5mm
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Crystalline Flakes or Powder
[pka]

4.25±0.10(Predicted)
[color ]

Off-white to beige
[Water Solubility ]

Very soluble in water.
[Detection Methods]

T,NMR
[BRN ]

113622
[InChI]

InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
[InChIKey]

RCNOGGGBSSVMAS-UHFFFAOYSA-N
[SMILES]

C1SC=CC=1CC(O)=O
[CAS DataBase Reference]

6964-21-2(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Thiopheneacetic acid(6964-21-2)
Questions And AnswerBack Directory
[Synthesis]

3-Thiopheneacetic acid can be obtained from 3-thiopheneacetonitrile by strong base hydrolysis.

Synthesis of 6964-21-2

1.0 g (8.1 mmol) of 3-thiopheneacetonitrile was dissolved in 40-60 mL of an EtOH/H2O mixture (1:1), and about 10 times the excess of solid KOH was added. The mixture was then heated to 90 °C. After 3 hours, the ethanol was distilled off under reduced pressure, and the aqueous residue was diluted to 100 mL and extracted with CH2Cl2 (3×50 mL). Subsequently, the aqueous phase was set to pH 4-5 with 2N HCl. The acidified aqueous phase was extracted again with CH2Cl2 (3×50 mL).

The organic phase was dried over Na₂SO₄ and evaporated to dryness, yield: 1.1 g (94% of theoretical value), beige amorphous solid, mp 74-76℃ (decomposes).
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

1759
[WGK Germany ]

3
[RTECS ]

XM7570000
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Diethyl ether-->Tetrahydrofuran-->Potassium hydroxide-->n-Butyllithium-->Nitrogen-->Carbon tetrachloride-->N-Bromosuccinimide-->Sodium cyanide-->Benzoyl peroxide-->Methyl chloroacetate-->3-Bromothiophene-->3-Methylthiophene
[Preparation Products]

METHYL THIOPHENE-3-ACETATE-->Thieno[2,3-c]pyridin-5(6H)-one, 4-amino-7-methyl--->cetiedil
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Thiopheneacetic acid(6964-21-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3-Thiopheneacetic acid was used in one-step, size control synthesis of gold nanoparticles. It was also used in the preparation of gold nanoparticles capped with 3-thiopheneacetic acid (3-TAA) via borohydride reduction.
[General Description]

3-Thiopheneacetic acid acts as monocarboxylate ligand and forms oxo-carboxylate bridged digadolinium(III) complexes. Electrochemical oxidation of 3-thiopheneacetic acid in dry acetonitrile leads to the formation of a conducting polymeric film of poly (3-thiopheneacetic acid).
[Purification Methods]

Crystallise the acid from ligroin or H2O. [Beilstein 18 III/IV 4066.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Thiopheneacetic acid(6964-21-2)MS
3-Thiopheneacetic acid(6964-21-2)1HNMR
3-Thiopheneacetic acid(6964-21-2)13CNMR
3-Thiopheneacetic acid(6964-21-2)IR1
3-Thiopheneacetic acid(6964-21-2)IR2
3-Thiopheneacetic acid(6964-21-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Thiopheneacetic acid, 98%(6964-21-2)
[Alfa Aesar]

3-Thiopheneacetic acid, 98%(6964-21-2)
[Sigma Aldrich]

6964-21-2(sigmaaldrich)
[TCI AMERICA]

Thiophene-3-acetic Acid,>98.0%(T)(6964-21-2)
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