Basic information
- CAS
18794-78-0- Standard SMILES
CCCCCCCc1cccs1- InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N- Molecular formula
- C11H18S
- Average molar mass
- 182.33 g/mol
- Monoisotopic mass
- 182.11292175
Names & identifiers
- Preferred name
- 2-Heptylthiophene
- IUPAC
- 2-heptylthiophene
- English name
- 2-(n-Heptyl)thiophene
- Molecular formula
- C11H18S
- Molecular weight
- 182.33
Names & synonyms
2-Heptylthiophene18794-78-0Thiophene, 2-heptyl-2-n-HeptylthiopheneEINECS 242-581-5DTXSID10172121RefChem:87268DTXCID9094612242-581-5FGGZOCMVJAJPMH-UHFFFAOYSA-N2-(N-HEPTYL)THIOPHENE2-heptyl-thiophene
Show more names
2-Bromo-5-n-heptylthiophene5-Bromo-2-n-heptylthiophene
SCHEMBL159475SCHEMBL16289362SCHEMBL28135662AKOS005266508DB-065625NS00048155Q63392789
Database identifiers
- CAS
18794-78-0- PubChem CID
- 87794
- DTXSID
DTXSID10172121- EC Number
- 242-581-5
- Nikkaji
- J47.709E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Melting point
- -29.15 °C · -29.15°C (estimate)
- Boiling point
- 240.76 °C · 240.76°C (estimate)
- Density
- 0.956 · 0.9560 (estimate)
- refractive index
- 1.5022 · 1.5022 (estimate)
- LogP
- 5.301 · 5.301 (est)
- 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
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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