2-Fluorobenzoyl chloride
TL;DR: 2-Fluorobenzoyl chloride (CAS 393-52-2) is a chemical compound with molecular formula C7H4ClFO and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorobenzoyl chloride
Also Known As: 2-FLUOROBENZOYL CHLORIDE, o-Fluorobenzoyl chloride, Benzoyl chloride, 2-fluoro-, 2-fluorobenzoylchloride, Benzoyl chloride, o-fluoro-
| Molecular Formula | C7H4ClFO |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.99347 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| Melting Point | 3.9 °C |
| Boiling Point | 206.1 °C at 760 mmHg |
| Density | 1.304 at 20.0 °C |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | 82.2 °C |
| Vapor Pressure | 0.46 [mmHg] |
| Refractive Index | 1.5365 at 20 °C |
Chemical Identifiers
| CAS Number | 393-52-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)F |
| InChIKey | RAAGZOYMEQDCTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorobenzoyl chloride (CAS 393-52-2), with molecular formula C7H4ClFO and molecular weight 157.99 g/mol. IUPAC: 2-fluorobenzoyl chloride.
Chemical Property Profile of 2-Fluorobenzoyl chloride
Property Insights of 2-Fluorobenzoyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobenzoyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Fluorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzoyl chloride has 0 hydrogen bond donor(s) and 2 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 2-Fluorobenzoyl chloride?
The CAS number of 2-Fluorobenzoyl chloride is 393-52-2.
What is the molecular formula of 2-Fluorobenzoyl chloride?
The molecular formula of 2-Fluorobenzoyl chloride is C7H4ClFO.
What is the molecular weight of 2-Fluorobenzoyl chloride?
The molecular weight of 2-Fluorobenzoyl chloride is 157.99 g/mol.
Where can I buy 2-Fluorobenzoyl chloride?
You can request a quote for 2-Fluorobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.