≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCC1=CC=C(S1)Br |
|---|---|
| IUPAC Name | 2-bromo-5-octylthiophene |
| InChIKey | USLMRHXOAXBGCS-UHFFFAOYSA-N |
| INCHI | 1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-10H,2-8H2,1H3 |
| Isomeric SMILES | CCCCCCCCC1=CC=C(S1)Br |
| Molecular Weight | 275.25 |
| Reaxy-Rn | 130105 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130105&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Sensitivity | heat sensitive；air sensitive |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°C) | 140℃ |
| Boil Point(°C) | 112°C/0.2mmHg(lit.) |
| Melt Point(°C) | 5°C(lit.) |
| Molecular Weight | 275.250 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 274.039 Da |
| Monoisotopic Mass | 274.039 Da |
| Topological Polar Surface Area | 28.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
