3,4-Dichloro-1-butene
TL;DR: 3,4-Dichloro-1-butene (CAS 760-23-6) 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.
3,4-dichlorobut-1-ene
Also Known As: 3,4-DICHLORO-1-BUTENE, 3,4-Dichlorobut-1-ene, 3,4-dichloro-1 -butene, 1,2-Dichloro-3-butene, 1-Butene, 3,4-dichloro-
| 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 | 2 |
| Exact Mass | 123.98466 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
| Melting Point | -61 °C |
| Boiling Point | 118.6 °C |
| Density | 1.153 @ 25 °C |
| Solubility | 420 mg/l of water; soluble in polar solvents. |
| Flash Point | 45 °C |
| Vapor Pressure | 21.9 [mmHg] |
| Refractive Index | 1.4630 @ 20 °C |
Chemical Identifiers
| CAS Number | 760-23-6 |
|---|---|
| SMILES | C=CC(CCl)Cl |
| InChIKey | XVEASTGLHPVZNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichloro-1-butene (CAS 760-23-6), with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol. IUPAC: 3,4-dichlorobut-1-ene.
Chemical Property Profile of 3,4-Dichloro-1-butene
Property Insights of 3,4-Dichloro-1-butene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichloro-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dichloro-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-1-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 3,4-Dichloro-1-butene?
The CAS number of 3,4-Dichloro-1-butene is 760-23-6.
What is the molecular formula of 3,4-Dichloro-1-butene?
The molecular formula of 3,4-Dichloro-1-butene is C4H6Cl2.
What is the molecular weight of 3,4-Dichloro-1-butene?
The molecular weight of 3,4-Dichloro-1-butene is 123.98 g/mol.
Where can I buy 3,4-Dichloro-1-butene?
You can request a quote for 3,4-Dichloro-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.