3-THIOPHENEACETIC ACID
3-Thiopheneacetic acid
CAS: 6964-21-2
Molecular Formula: C6H6O2S
3-THIOPHENEACETIC ACID - Names and Identifiers
| Name | 3-Thiopheneacetic acid |
| Synonyms | NSC 66315 BRN 0113622 RARECHEM AL BO 0216 TIMTEC-BB SBB004147 thiophen-3-ylacetate 3-Thienylacetic acid 3-THIENYLACETIC ACID THIEN-3-YLACETIC ACID 3-THIOPHENEACETIC ACID 3-Thiopheneacetic acid THIOPHENE-3-ACETIC ACID 3-Thiopheneethanoic acid 2-(3-Thienyl)acetic Acid thiophen-3-ylacetic acid 4-18-00-04066 (Beilstein Handbook Reference) |
| CAS | 6964-21-2 |
| EINECS | 230-166-1 |
| InChI | InChI=1/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)/p-1 |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
3-THIOPHENEACETIC ACID - Physico-chemical Properties
| Molecular Formula | C6H6O2S |
| Molar Mass | 142.18 |
| Density | 1.365 (estimate) |
| Melting Point | 73-76°C(lit.) |
| Boling Point | 129°C 2,5mm |
| Flash Point | 129°C/2.5mm |
| Water Solubility | Very soluble in water. |
| Vapor Presure | 0.00265mmHg at 25°C |
| Appearance | Crystalline Flakes or Powder |
| Color | Off-white to beige |
| BRN | 113622 |
| pKa | 4.25±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.5300 (estimate) |
| MDL | MFCD00005473 |
3-THIOPHENEACETIC ACID - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns |
| Safety Description | 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 the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. |
| UN IDs | 1759 |
| WGK Germany | 3 |
| RTECS | XM7570000 |
| HS Code | 29349990 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
3-THIOPHENEACETIC ACID - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | 3-thiopheneacetic acid is an organic intermediate, it is reported that 3-thiophene acetic acid can be used to prepare an electromagnetic shielding polyamide material. |
| preparation | 3-thiopheneacetic acid can be obtained from 3-thiopheneacetonitrile by strong base hydrolysis. 3-thiophene acetonitrile 1.0g(8.1mmol) was dissolved in 40-60 mL of EtOH/H2O mixture (1:1) and approximately 10-fold excess of solid KOH was added, it was then heated to 90 °c. After 3 hours, ethanol was distilled off under reduced pressure, the aqueous residue was diluted to 100ml and extracted with CH2Cl2(3 x 50ml). Subsequently, the aqueous phase was set to a pH of 4-5 with 2N HCl. The acidified aqueous phase was extracted again with CH2Cl2(3 x 50ml). The organic phase is dried over Na2SO4 and evaporated to dryness, yield: 1.1g (94% of theory), beige amorphous solid, mp 74-76 °c (decomposition). |
Last Update：2024-04-09 21:04:16
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