1,2-二氯丁烷
TL;DR: 1,2-二氯丁烷 (CAS 616-21-7) is a chemical compound with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二氯丁烷
1,2-dichlorobutane
Also Known As: 1,2-DICHLOROBUTANE, Butane, 1,2-dichloro-, Butane,2-dichloro-, 1,2-Butylene chloride, 1,2-dichloro-butane
| Molecular Formula | C4H8Cl2 |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.000305 |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| Boiling Point | 124.1 °C |
| Density | 1.1116 @ 25 °C |
| Solubility | Insoluble in water; soluble in ether, chloroform and carbon tetrachloride. |
| Vapor Pressure | 20.9 [mmHg] |
| Refractive Index | 1.4450 @ 20 °C |
Chemical Identifiers
| CAS Number | 616-21-7 |
|---|---|
| SMILES | CCC(CCl)Cl |
| InChIKey | PQBOTZNYFQWRHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二氯丁烷 (CAS 616-21-7), with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol. IUPAC: 1,2-dichlorobutane.
Chemical Property Profile of 1,2-二氯丁烷
Property Insights of 1,2-二氯丁烷
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二氯丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-二氯丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二氯丁烷 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 1,2-二氯丁烷?
The CAS number of 1,2-二氯丁烷 is 616-21-7.
What is the molecular formula of 1,2-二氯丁烷?
The molecular formula of 1,2-二氯丁烷 is C4H8Cl2.
What is the molecular weight of 1,2-二氯丁烷?
The molecular weight of 1,2-二氯丁烷 is 126.00 g/mol.
Where can I buy 1,2-二氯丁烷?
You can request a quote for 1,2-二氯丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二氯丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氯丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.