氯丁二烯
TL;DR: 氯丁二烯 (CAS 126-99-8) is a chemical compound with molecular formula C4H5Cl and molecular weight 88.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯丁二烯
2-chlorobuta-1,3-diene
Also Known As: CHLOROPRENE, Chlorobutadiene, 2-Chlorobuta-1,3-diene, 2-Chloro-1,3-butadiene, 2-Chlorobutadiene
| Molecular Formula | C4H5Cl |
|---|---|
| Molecular Weight | 88.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.00798 |
| Heavy Atoms | 5 |
| Complexity | 54.0 |
| Melting Point | -130.0 °C |
| Boiling Point | 59.4 °C at 760 mmHg |
| Density | 0.9583 at 20.0 °C - Less dense than water; will float |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | -20.0 °C |
| Vapor Pressure | 118 mmHg at 10.0 °C ; 188 mmHg at 20.0 °C |
| Refractive Index | 1.4583 @ 20 °C |
Chemical Identifiers
| CAS Number | 126-99-8 |
|---|---|
| SMILES | C=CC(=C)Cl |
| InChIKey | YACLQRRMGMJLJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯丁二烯 (CAS 126-99-8), with molecular formula C4H5Cl and molecular weight 88.01 g/mol. IUPAC: 2-chlorobuta-1,3-diene.
Chemical Property Profile of 氯丁二烯
Property Insights of 氯丁二烯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯丁二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 氯丁二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯丁二烯 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 氯丁二烯?
The CAS number of 氯丁二烯 is 126-99-8.
What is the molecular formula of 氯丁二烯?
The molecular formula of 氯丁二烯 is C4H5Cl.
What is the molecular weight of 氯丁二烯?
The molecular weight of 氯丁二烯 is 88.01 g/mol.
Where can I buy 氯丁二烯?
You can request a quote for 氯丁二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯丁二烯?
Yes, KEHONG BIO provides custom synthesis services for 氯丁二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.