≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187888 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187888 |
| Canonical Smiles | C#CC1=CC=C(C=C1)Br |
| IUPAC Name | 1-bromo-4-ethynylbenzene |
| InChIKey | LTLVZQZDXQWLHU-UHFFFAOYSA-N |
| INCHI | 1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
| Isomeric SMILES | C#CC1=CC=C(C=C1)Br |
| WGK Germany | 2 |
| UN Number | 3077 |
| Molecular Weight | 181.03 |
| Reaxy-Rn | 1209726 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209726&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bromobenzenes |
| Alternative Parents | Aryl bromides Acetylides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Aryl halide - Aryl bromide - Acetylide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2124127 | Certificate of Analysis | Jun 15, 2026 | B100857 |
| C2124128 | Certificate of Analysis | Jun 15, 2026 | B100857 |
| G2022139 | Certificate of Analysis | Dec 22, 2025 | B100857 |
| B2221347 | Certificate of Analysis | Aug 07, 2025 | B100857 |
| B2221351 | Certificate of Analysis | Aug 07, 2025 | B100857 |
| B2221360 | Certificate of Analysis | Aug 07, 2025 | B100857 |
| E1612042 | Certificate of Analysis | Jul 10, 2025 | B100857 |
| E2324090 | Certificate of Analysis | Feb 11, 2025 | B100857 |
| E2324073 | Certificate of Analysis | Feb 11, 2025 | B100857 |
| C2308344 | Certificate of Analysis | Dec 09, 2024 | B100857 |
| C2611226 | Certificate of Analysis | Jul 03, 2024 | B100857 |
| C2611227 | Certificate of Analysis | Jul 03, 2024 | B100857 |
| C2124129 | Certificate of Analysis | Dec 15, 2022 | B100857 |
| Solubility | Soluble in Toluene |
|---|---|
| Boil Point(°C) | 88-90°C(16mmHg) |
| Melt Point(°C) | 64-67°C |
| Molecular Weight | 181.030 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.957 Da |
| Monoisotopic Mass | 179.957 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| 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 |
| 1. Qingxia Zhu, Xiaowen Lu, Siqi Ji, Honghong Li, Jun Wang, Zhijun Li. (2021) Fully exposed cobalt nanoclusters anchored on nitrogen-doped carbon synthesized by a host-guest strategy for semi-hydrogenation of phenylacetylene. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2021.11.021] |
