3-氟苄氯
TL;DR: 3-氟苄氯 (CAS 456-42-8) is a chemical compound with molecular formula C7H6ClF and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟苄氯
1-(chloromethyl)-3-fluorobenzene
Also Known As: 3-Fluorobenzyl chloride, 1-(Chloromethyl)-3-fluorobenzene, M-FLUOROBENZYL CHLORIDE, 3-Fluorobenzylchloride, Benzene, 1-(chloromethyl)-3-fluoro-
| Molecular Formula | C7H6ClF |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0142 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Vapor Pressure | 0.99 [mmHg] |
Chemical Identifiers
| CAS Number | 456-42-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CCl |
| InChIKey | XBDXMDVEZLOGMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氟苄氯 (CAS 456-42-8), with molecular formula C7H6ClF and molecular weight 144.01 g/mol. IUPAC: 1-(chloromethyl)-3-fluorobenzene.
Chemical Property Profile of 3-氟苄氯
Property Insights of 3-氟苄氯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟苄氯. With a topological polar surface area (TPSA) of 0.0 Ų, 3-氟苄氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟苄氯 has 0 hydrogen bond donor(s) and 1 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-氟苄氯?
The CAS number of 3-氟苄氯 is 456-42-8.
What is the molecular formula of 3-氟苄氯?
The molecular formula of 3-氟苄氯 is C7H6ClF.
What is the molecular weight of 3-氟苄氯?
The molecular weight of 3-氟苄氯 is 144.01 g/mol.
Where can I buy 3-氟苄氯?
You can request a quote for 3-氟苄氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟苄氯?
Yes, KEHONG BIO provides custom synthesis services for 3-氟苄氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.