578797

3-Ethynylthiophene

96%

• Empirical Formula (Hill Notation): C₆H₄S
• CAS Number: 67237-53-0
• Molecular Weight: 108.16
• MDL number: MFCD04039973
• UNSPSC Code: 12352100
• PubChem Substance ID: 24880952
• NACRES: NA.22

Properties

• Assay: 96%
• refractive index: n20/D 1.5800 (lit.)
• bp: 152-153 °C (lit.)
• density: 1.098 g/mL at 25 °C (lit.)
• SMILES string: C#Cc1ccsc1
• InChI: 1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
• InChI key: MJHLPKWONJUCFK-UHFFFAOYSA-N

Description

Application

3-Ethynylthiophene may be used in the synthesis of the following:

• 1-(2-bromobenzyl)-4-(thiophen-3-yl)-1H-1,2,3-triazole which is obtained by heating with 2-iodophenylethylazide in the presence of copper acetate monohydrate catalyst in N-methyl-2-pyrrolidone
• N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine via a multi-step reaction process
• [(C₄H₃S-3)C≡CAg]_n, a polymeric compound obtained via reaction with silver nitrate in the presence of triethylamine in acetonitrile
• 4,5-bis(thiophen-3-ylethynyl)phthalonitrile via Sonogashira cross-coupling reaction with 4,5-dichlorophthalonitrile

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H315,H318,H335
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 115.0 °F - closed cup
• Flash Point(C): 46.1 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves