Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate
Basic information
- CAS
1160823-76-6- Standard SMILES
CCCCCCCCOC(=O)c1sc2c(Br)sc(Br)c2c1F- InChIKey
AXLMQOPQPUEOQD-UHFFFAOYSA-N- Molecular formula
- C15H17Br2FO2S2
- Average molar mass
- 472.2 g/mol
- Monoisotopic mass
- 469.90208
Names & identifiers
- Preferred name
- Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate
- IUPAC
- octyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate
- English name
- 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic acid octyl ester
- Molecular formula
- C15H17Br2FO2S2
- Molecular weight
- 472.23
Names & synonyms
1160823-76-6Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylateoctyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylaten-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylateThieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, octyl esterOctyl4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic acid octyl ester4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic Acid n-Octyl EsterMFCD19440962SCHEMBL12622743DTXSID10729053MFCD19940962
Show more names
BTHFCOO-2BrDTFCOO8-2Br1-(4,6-dibromothieno[2,3-c]thiophen-2-yl)octan-1-onen-Octyl4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate>4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic acid octyl ester
DB-343932D91871n-Octyl 46-Dibromo-3-fluorothieno[34-b]thiophene-2-carboxylateoctyl 4,6-dibromo-3-fluoro-thieno[2,3-c]thiophene-2-carboxylate3-cyclohexyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-(3-methylbutyl)urea
Database identifiers
- CAS
1160823-76-6- PubChem CID
- 58280910
- DTXSID
DTXSID10729053- Nikkaji
- J2.740.583E
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 53 to · 53.0 to 57.0 °C
- Boiling point
- 486.3 · 486.3±45.0 °C(Predicted)
- Density
- 1.614 · 1.614
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- Light yellow to Brown to Dark green
- HS Code
- 2934.99 · 2934.99.4400
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
- hs_code
- 2934.99.4400
Chemistry & industry
Applications
UsesOctyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate can be used as a component of solar cells.
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Related reactions
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Compound notes
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