1,3-Dichloro-2-butene
TL;DR: 1,3-Dichloro-2-butene (CAS 926-57-8) is a chemical compound with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichlorobut-2-ene
Also Known As: 1,3-Dichlorobut-2-ene, 2-Butene, 1,3-dichloro-, Dichlorobutene, 1,3-DICHLORO-2-BUTENE, 1,3-Dichlorobutylene
| Molecular Formula | C4H6Cl2 |
|---|---|
| Molecular Weight | 123.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.98466 |
| Heavy Atoms | 6 |
| Complexity | 56.0 |
| Melting Point | -75 °C |
| Boiling Point | 131 °C |
| Density | 1.161 |
| Solubility | INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS |
| Flash Point | 27 °C |
| Vapor Pressure | 12.6 [mmHg] |
| Refractive Index | 1.4692 @ 20 °C |
Chemical Identifiers
| CAS Number | 926-57-8 |
|---|---|
| SMILES | CC(=CCCl)Cl |
| InChIKey | WLIADPFXSACYLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloro-2-butene (CAS 926-57-8), with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol. IUPAC: 1,3-dichlorobut-2-ene.
Chemical Property Profile of 1,3-Dichloro-2-butene
Property Insights of 1,3-Dichloro-2-butene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloro-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-butene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dichloro-2-butene?
The CAS number of 1,3-Dichloro-2-butene is 926-57-8.
What is the molecular formula of 1,3-Dichloro-2-butene?
The molecular formula of 1,3-Dichloro-2-butene is C4H6Cl2.
What is the molecular weight of 1,3-Dichloro-2-butene?
The molecular weight of 1,3-Dichloro-2-butene is 123.98 g/mol.
Where can I buy 1,3-Dichloro-2-butene?
You can request a quote for 1,3-Dichloro-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.