100 μg/mL in MeOH for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice,FedEx DG Service 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.
| Canonical Smiles | C=CC(=C)Cl |
|---|---|
| IUPAC Name | 2-chlorobuta-1,3-diene |
| InChIKey | YACLQRRMGMJLJV-UHFFFAOYSA-N |
| INCHI | 1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 |
| Isomeric SMILES | C=CC(=C)Cl |
| UN Number | 1991 |
| Packing Group | I |
| Molecular Weight | 88.54 |
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 | Organohalogen compounds |
| Class | Vinyl halides |
| Subclass | Vinyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinyl chlorides |
| Alternative Parents | Chloroalkenes Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom. |
| External Descriptors | chloroolefin |
| Molecular Weight | 88.530 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 88.008 Da |
| Monoisotopic Mass | 88.008 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 54.700 |
| 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. Wei Wu, Chunli Li, Junjie Qi, Xingjiang Wu, Jing Fang, Zhiqiu Ye, Xiaowei Jiang, Huazhang Zhao, Hao Li. (2025) Octopus-like biomass-based flocculant for broad-spectrum water purification. WATER RESEARCH, [PMID:40483802] [10.1016/j.watres.2025.123961] |
