2-Ethynyl-5-phenylthiophene
Basic information
- CAS
1665-35-6- Standard SMILES
C#Cc1ccc(-c2ccccc2)s1- InChIKey
GZPBZFFHJJDHEE-UHFFFAOYSA-N- Molecular formula
- C12H8S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.03467143
Names & identifiers
- Preferred name
- 2-Ethynyl-5-phenylthiophene
- IUPAC
- 2-ethynyl-5-phenylthiophene
- English name
- 2-Phenyl-5-ethylnylthiophene
- Molecular formula
- C12H8S
- Molecular weight
- 184.26
Names & synonyms
2-Ethynyl-5-phenylthiophene1665-35-62-Phenyl-5-ethylnylthiophene2-ethynyl-5-phenyl-thiopheneThiophene, 2-ethynyl-5-phenyl-MFCD18207406CHEMBL443149SCHEMBL16805388DTXSID00937206BAA66535AKOS034019863CS-0223378
Show more names
EN300-115033H29241A1-29248F2167-5114
Database identifiers
- CAS
1665-35-6- PubChem CID
- 134485
- DTXSID
DTXSID00937206- ChEMBL
CHEMBL443149- Nikkaji
- J1.504.354G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 65 · 65-67 °C(Solv: hexane (110-54-3))
- Boiling point
- 308.1 · 308.1±30.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Ethynyl-5-phenylthiophene is used as a reactant in the palladium-catalyzed syntheses of naturally occurring acetylenic thiophenes and related compounds.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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