≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
It was used in preparation of:series of benzo[b]pyrano[2,3-i]xanthen-6-ones and benzo[b]pyrano[3,2-h]xanthen-7-ones;6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one;5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one;3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran
| Pubchem Sid | 504754553 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754553 |
| Canonical Smiles | CC(C)(C#C)Cl |
| IUPAC Name | 3-chloro-3-methylbut-1-yne |
| InChIKey | QSILYWCNPOLKPN-UHFFFAOYSA-N |
| INCHI | 1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3 |
| Isomeric SMILES | CC(C)(C#C)Cl |
| WGK Germany | 3 |
| PubChem CID | 70679 |
| Molecular Weight | 102.56 |
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 | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| 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 |
|---|---|---|---|
 H2217739 | Certificate of Analysis | Mar 09, 2026 | W132347 |
| H2217740 | Certificate of Analysis | Mar 09, 2026 | W132347 |
| H2217794 | Certificate of Analysis | Mar 09, 2026 | W132347 |
| E1712134 | Certificate of Analysis | Jan 16, 2023 | W132347 |
| Flash Point(°F) | 40°F |
|---|---|
| Flash Point(°C) | 4 °C |
| Boil Point(°C) | 73-75° |
| Melt Point(°C) | -61° |
| Molecular Weight | 102.560 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 102.024 Da |
| Monoisotopic Mass | 102.024 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 83.400 |
| 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 |
