85% trans, 10% cis for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 2 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 |
| PubChem CID | 31369 |
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 |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | Tg−48℃ |
| 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. Xiaolin Man, Ronglan Wu, Henghua Lv, Wei Wang. (2015) Synthesis of a montmorillonite-supported titania nanocomposite with grafted cellulose as a template and its application in photocatalytic degradation. JOURNAL OF APPLIED POLYMER SCIENCE, 132 (41): [PMID:] [10.1002/app.42627] |
| 2. Zhang Xiaowei, Wang Shuqi, Zhang Ke, Feng Liang, Xu Anchuan, Zhong Risheng, Chen Dan, Wang Chunqiong, Zhang Jiwu, Wan Yueying, Long Jie, Chen Haitao. (2025) Decoding key aroma components of three cigar tobacco leaves based on molecular sensory science. Frontiers in Chemistry, [PMID:40709315] [10.3389/fchem.2025.1633850] |
