间氯苯乙烯
TL;DR: 间氯苯乙烯 (CAS 2039-85-2) is a chemical compound with molecular formula C8H7Cl and molecular weight 138.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间氯苯乙烯
1-chloro-3-ethenylbenzene
Also Known As: 3-Chlorostyrene, 1-Chloro-3-vinylbenzene, M-CHLOROSTYRENE, Styrene, m-chloro-, 1-chloro-3-ethenylbenzene
| Molecular Formula | C8H7Cl |
|---|---|
| Molecular Weight | 138.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.02362 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| Boiling Point | 188.7 °C |
| Density | 1.1168 @ 20 °C |
| Solubility | Insol in water |
| Vapor Pressure | 0.98 [mmHg] |
| Refractive Index | 1.5625 @ 20 °C |
Chemical Identifiers
| CAS Number | 2039-85-2 |
|---|---|
| SMILES | C=CC1=CC(=CC=C1)Cl |
| InChIKey | BOVQCIDBZXNFEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间氯苯乙烯 (CAS 2039-85-2), with molecular formula C8H7Cl and molecular weight 138.02 g/mol. IUPAC: 1-chloro-3-ethenylbenzene.
Chemical Property Profile of 间氯苯乙烯
Property Insights of 间氯苯乙烯
The XLogP value of 3.1 indicates that 间氯苯乙烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 间氯苯乙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间氯苯乙烯 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 间氯苯乙烯?
The CAS number of 间氯苯乙烯 is 2039-85-2.
What is the molecular formula of 间氯苯乙烯?
The molecular formula of 间氯苯乙烯 is C8H7Cl.
What is the molecular weight of 间氯苯乙烯?
The molecular weight of 间氯苯乙烯 is 138.02 g/mol.
Where can I buy 间氯苯乙烯?
You can request a quote for 间氯苯乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间氯苯乙烯?
Yes, KEHONG BIO provides custom synthesis services for 间氯苯乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.