1,4-Dichloro-2-butene
TL;DR: 1,4-Dichloro-2-butene (CAS 1476-11-5) 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.
1,4-dichlorobut-2-ene
Also Known As: cis-1,4-Dichloro-2-butene, trans-1,4-Dichloro-2-butene, 1,4-DICHLORO-2-BUTENE, 1,4-Dichlorobut-2-ene, 2-Butylene dichloride
| Molecular Formula | C4H6Cl2 |
|---|---|
| Molecular Weight | 123.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.98466 |
| Heavy Atoms | 6 |
| Complexity | 34.0 |
| Melting Point | -47.8 °C |
| Boiling Point | 156.1 °C at 760 mmHg |
| Density | 1.112 at 20.0 °C |
| Solubility | Miscible with benzene, alc, carbon tetrachloride; immiscible with ethylene glycol and glycerol. |
| Vapor Pressure | 3.0 [mmHg] |
| Refractive Index | 1.4874 technical grade 85% of cis and trans isomers. |
Chemical Identifiers
| CAS Number | 1476-11-5 |
|---|---|
| SMILES | C(C=CCCl)Cl |
| InChIKey | FQDIANVAWVHZIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichloro-2-butene (CAS 1476-11-5), with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol. IUPAC: 1,4-dichlorobut-2-ene.
Chemical Property Profile of 1,4-Dichloro-2-butene
Property Insights of 1,4-Dichloro-2-butene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichloro-2-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichloro-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-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 1,4-Dichloro-2-butene?
The CAS number of 1,4-Dichloro-2-butene is 1476-11-5.
What is the molecular formula of 1,4-Dichloro-2-butene?
The molecular formula of 1,4-Dichloro-2-butene is C4H6Cl2.
What is the molecular weight of 1,4-Dichloro-2-butene?
The molecular weight of 1,4-Dichloro-2-butene is 123.98 g/mol.
Where can I buy 1,4-Dichloro-2-butene?
You can request a quote for 1,4-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 1,4-Dichloro-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichloro-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.