1,3-二氯丙烯
TL;DR: 1,3-二氯丙烯 (CAS 542-75-6) is a chemical compound with molecular formula C3H4Cl2 and molecular weight 109.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氯丙烯
1,3-dichloroprop-1-ene
Also Known As: 1,3-DICHLOROPROPENE, trans-1,3-Dichloropropene, Dorlone, Telone, Telone II
| Molecular Formula | C3H4Cl2 |
|---|---|
| Molecular Weight | 109.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.969 |
| Heavy Atoms | 5 |
| Complexity | 31.0 |
| Melting Point | -83.9 °C |
| Boiling Point | 103.9 °C at 760 mmHg |
| Density | 1.2 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 61.7 °F (NTP, 1992) |
| Flash Point | 35.0 °C |
| Vapor Pressure | 27.9 mmHg at 20.0 °C ; 28 mmHg at 25.0 °C |
| Refractive Index | 1.4735 at 22 °C |
Chemical Identifiers
| CAS Number | 542-75-6 |
|---|---|
| SMILES | C(C=CCl)Cl |
| InChIKey | UOORRWUZONOOLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氯丙烯 (CAS 542-75-6), with molecular formula C3H4Cl2 and molecular weight 109.97 g/mol. IUPAC: 1,3-dichloroprop-1-ene.
Chemical Property Profile of 1,3-二氯丙烯
Property Insights of 1,3-二氯丙烯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二氯丙烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-二氯丙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二氯丙烯 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 1,3-二氯丙烯?
The CAS number of 1,3-二氯丙烯 is 542-75-6.
What is the molecular formula of 1,3-二氯丙烯?
The molecular formula of 1,3-二氯丙烯 is C3H4Cl2.
What is the molecular weight of 1,3-二氯丙烯?
The molecular weight of 1,3-二氯丙烯 is 109.97 g/mol.
Where can I buy 1,3-二氯丙烯?
You can request a quote for 1,3-二氯丙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氯丙烯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氯丙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.