1-Benzothiophene-3-carbaldehyde
Synonym(s):Benzo[b]thiophene-3-carboxaldehyde
- CAS NO.：5381-20-4
- Empirical Formula: C9H6OS
- Molecular Weight: 162.21
- MDL number: MFCD00052376
- EINECS: 611-051-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 1-Benzothiophene-3-carbaldehyde?
Chemical properties
Yellow to brown crystalline powder
The Uses of 1-Benzothiophene-3-carbaldehyde
Thianaphthene-3-carboxaldehyde (Benzo[b]thiophene-3-carboxaldehyde) may be used as a starting material in the multi-step synthesis of anthra[2,3-b:7,6-b′]bis[1benzothiophenes (ABBTs).
It may be used in the synthesis of :
- 6-(N,N-dimethylamino)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one
- 6-(pyrrolidin-1-yl)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one
- (Z)-2-(benzo-[b]-thio-phen-3-yl-methyl-ene)-1-aza-bi-cyclo-[2.2.2]-octan-3-one
General Description
Thianaphthene-3-carboxaldehyde, also known as benzo[b]thiophene-3-carboxaldehyde, can be synthesized from 3-methyl-benzo[b]thiophene. It undergoes phosphine-free palladium coupling with aryl halides to form 2-arylbenzo[b]thiophenes.
Properties of 1-Benzothiophene-3-carbaldehyde
| Melting point: | 53-57 °C (lit.) |
| Boiling point: | 166 °C/20 mmHg (lit.) |
| Density | 1.2123 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Flash point: | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | powder to crystal |
| color | White to Orange to Green |
| λmax | 302nm(EtOH)(lit.) |
| CAS DataBase Reference | 5381-20-4(CAS DataBase Reference) |
Safety information for 1-Benzothiophene-3-carbaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 1-Benzothiophene-3-carbaldehyde
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