| Identification | More | [Name]
2-Thiopheneacetic acid | [CAS]
1918-77-0 | [Synonyms]
2-THENYLACETIC ACID
2-THIENYLACETIC ACID
2-THIOPHENEACETIC ACID
AKOS BBS-00003728
LABOTEST-BB LT00848119
RARECHEM AL BO 0215
THIENYLACETIC(2-) ACID
THIOPHENE-2-ACETIC ACID
THOPHENE-2-ACETIC ACID
TIMTEC-BB SBB004145
Thiopheneacetic acid
Thien-2-ylacetate
thiophen-2-acetic acid
2-(Thien-2-yl)acetic acid
Thiophene-2-acetic acid, 98+%
2-THIOPHENE-2-ACETIC ACID
2-Thiophene
2-(Thien-2-yl)acetic acid 97%
2-(2-Thienyl)acetic acid
2-Thienylethanoic acid | [EINECS(EC#)]
217-639-8 | [Molecular Formula]
C6H6O2S | [MDL Number]
MFCD00005458 | [Molecular Weight]
142.18 | [MOL File]
1918-77-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
63-64 °C (lit.) | [Boiling point ]
160 °C/22 mmHg (lit.) | [density ]
1.365 (estimate) | [refractive index ]
1.5300 (estimate) | [Fp ]
160°C/22mm | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
4.23±0.10(Predicted) | [color ]
Slightly brown to brown | [Water Solubility ]
Soluble in water, ethanol, ether and carbon tetrachloride. | [Detection Methods]
GC,NMR | [BRN ]
114551 | [InChI]
1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) | [InChIKey]
SMJRBWINMFUUDS-UHFFFAOYSA-N | [SMILES]
OC(=O)Cc1cccs1 | [CAS DataBase Reference]
1918-77-0(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Thiopheneacetic acid(1918-77-0) | [EPA Substance Registry System]
1918-77-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R37:Irritating to the respiratory system.
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
T | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
2-Thiopheneacetic acid is used in the preparation of rosette-like nanoscale gold materials. Further, it is used as a pharmaceutical intermediate for cefaloridine and cefalotin sodium. | [Definition]
ChEBI: 2-thienylacetic acid is a thiophene compound having a carboxymethyl group at the 2-position. It has a role as an allergen. It is a member of thiophenes and a monocarboxylic acid. It is functionally related to an acetic acid. It is a conjugate acid of a thien-2-ylacetate. | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 46, p. 1057, 1968 DOI: 10.1139/v68-179
Journal of the American Chemical Society, 72, p. 4326, 1950 | [General Description]
Adsorption of 2-thiopheneacetic acid on XAD-4, NDA-100 and ND-90 resin has been investigated. A new polymeric complex of Cu(II) and 2-thiopheneacetic acid has been synthesized and characterized by IR and Raman spectroscopy. | [Synthesis]
Steps for the synthesis of 2-thiophene acetic acid: 1 g of ethyl 2-(thiophen-2-yl)acetate was dissolved in 4 mL of ethanol, 8 mL of 4N NaOH aqueous solution was added, and the reaction was stirred at room temperature for 1 hour. Upon completion of the reaction, the reaction mixture was adjusted to pH 1 with 1N HCl aqueous solution and subsequently extracted with dichloromethane. The organic phase was separated and concentrated under reduced pressure to remove the solvent to give the oily product 2-thiopheneacetic acid. The yield was close to quantitative.ESI-MS m/z: 141.0 [M-H]? | [Purification Methods]
Crystallise the acid from ligroin, hexane and/or distil it in a vacuum. The amide has m 148o (from H2O or pet ether). [Beilstein 18 H 293, 18 III/IV 4062, 18/6 V 207.] | [References]
[1] Patent: EP2848617, 2015, A1. Location in patent: Paragraph 0243; 0244
[2] Patent: US2015/141419, 2015, A1. Location in patent: Paragraph 0303; 0304
[3] Journal of Organic Chemistry, 1958, vol. 23, p. 1289,1290 |
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