98-03-3
2-Thiophenecarboxaldehyde
CAS: 98-03-3
Molecular Formula: C5H4OS
98-03-3 - Names and Identifiers
| Name | 2-Thiophenecarboxaldehyde |
| Synonyms | 2-Thenaldehyde AKOS BBS-00003201 2-Thiophenaldehyde Thiophene-2-Aldehyde 2-Thiophenecarboxald 2-Thienylcarboxaldehyde Thiophene-2-carbaldehyde 2-Thiophenecarboxaldehyde Thiophene-2-carboxaldehyde 2-Formylthiophene, 2-Thenaldehyde 2-Thiophenecarboxaldehyde,Thenaldehyde THIOPHENE-2-CARBALDEHYDE FOR SYNTHESIS 2-Thiophenecarboxaldehyde (stabilized with HQ) |
| CAS | 98-03-3 |
| EINECS | 202-629-8 |
| InChI | InChI=1/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H |
| InChIKey | CNUDBTRUORMMPA-UHFFFAOYSA-N |
98-03-3 - Physico-chemical Properties
| Molecular Formula | C5H4OS |
| Molar Mass | 112.15 |
| Density | 1.2 g/mL at 25 °C (lit.) |
| Melting Point | <10°C |
| Boling Point | 198 °C (lit.)75-77 °C/11 mmHg (lit.) |
| Flash Point | 172°F |
| Water Solubility | insoluble |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Vapor Presure | 0.368mmHg at 25°C |
| Appearance | liquid (clear) |
| Specific Gravity | 1.2 |
| Color | clear yellow |
| BRN | 105819 |
| Storage Condition | 2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.591(lit.) |
| Physical and Chemical Properties | The trait is an oily liquid with an almond-like odor. boiling point 197 ℃ relative density 1.215 refractive index 1.5920 flash point 77 ℃ soluble in ethanol, benzene, ether, slightly soluble in water. |
| Use | As a broad-spectrum anthelmintic thiazine and cephalosporins 1, 2 and other intermediates |
98-03-3 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37 - Wear suitable gloves. S24 - Avoid contact with skin. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 2810 |
| WGK Germany | 3 |
| RTECS | XM8135000 |
| FLUKA BRAND F CODES | 9 |
| TSCA | Yes |
| HS Code | 29349990 |
| Hazard Note | Irritant |
98-03-3 - Nature
Open Data Verified Data
oily liquid with almond-like odor. Boiling point 197 °c. The relative density was 1.215. Refractive index 5920. Flash point 77 °c. Soluble in ethanol, benzene, ether, water-soluble.
Last Update：2025-06-10 22:55:16
98-03-3 - Preparation Method
Open Data Verified Data
thiophene and N,N-= methylformamide were incubated in the presence of POCl3 at 80 to 90 ° C. For 3 hours, condensation was carried out, and the product was hydrolyzed, neutralized and purified. In the process, thiophene and N,N-methyl formamide are placed in the reaction tank, phosphorus oxychloride is added at 10~20 ℃, and the temperature is gradually raised to 80~90 ℃, after keeping the temperature for 3H, then it is cooled to about 30 ℃ and hydrolyzed with ice water; Then it is neutralized with 30% sodium hydroxide solution; It is separated by standing, the water layer is extracted with carbon tetrachloride, and the extract is washed and dehydrated; Then the solvent is recovered and distilled under reduced pressure to obtain the finished product, the yield was more than 73%.
Last Update：2022-01-01 10:57:55
98-03-3 - Application
Open Data Verified Data
is used to introduce a thiophene group into an organic compound. In the pharmaceutical industry and dimethyl tetrahydropyrimidine condensation salt, and thus the preparation of broad-spectrum anthelmintics.
Last Update：2025-08-19 16:24:40
98-03-3 - Safety
Open Data Verified Data
- toxic, its toxicity and protection method see thiophene.
- glass bottles or polyethylene plastic barrels are sealed and filled with nitrogen to protect against oxidation. Store in a cool, ventilated, dry place. Sun protection, water resistance, protection against collisions and inversion. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2025-06-10 22:55:16
98-03-3 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | used as an intermediate of broad-spectrum anthelmintic thiazine and cephalosporin used as a broad-spectrum anthelmintic thiazine and cephalosporin 1, the intermediate of No. 2 et al. is used to introduce a thiophene group in an organic compound, for example, to introduce a thiophene group into dimethyltetrahydropyrimidine. A broad-spectrum anthelmintic drug, thiopyrimidine, was prepared by forming a salt of the obtained product with BIS-hydroxynaphthalic acid. organic synthesis. Preparation of Thiophene Derivatives, the introduction of thiophene groups in organic compounds |
| production method | from thiophene and dimethyl formamide in the presence of phosphorus oxychloride condensation, hydrolysis, neutralization, refined. Thiophene and dimethylformamide were added to the reaction pot, phosphorus oxychloride was slowly added below 15 ° C., and the temperature was gradually raised to 80-90 ° C., kept for 3 hours, cooled to 30 ° C., and hydrolyzed by adding ice water. Then it was neutralized by 30% sodium oxyoxide, allowed to stand and layered, the aqueous layer was extracted with carbon tetrachloride, the extract was washed and dehydrated, the solvent was recovered, and distilled under reduced pressure to obtain 2-thienophenylaldehyde. |
Last Update：2024-04-09 20:52:54
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