3-Fluorobenzal Bromide
TL;DR: 3-Fluorobenzal Bromide (CAS 455-34-5) is a chemical compound with molecular formula C7H5Br2F and molecular weight 265.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dibromomethyl)-3-fluorobenzene
Also Known As: 3-Fluorobenzal bromide, 1-(Dibromomethyl)-3-fluorobenzene, m-fluorobenzal bromide, 3-FLUOROBENZALBROMIDE, 1-Dibrommethyl-3-fluor-benzol
| Molecular Formula | C7H5Br2F |
|---|---|
| Molecular Weight | 265.87 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.8742 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 455-34-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(Br)Br |
| InChIKey | ZIAHZFPHXNQNQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluorobenzal Bromide (CAS 455-34-5), with molecular formula C7H5Br2F and molecular weight 265.87 g/mol. IUPAC: 1-(dibromomethyl)-3-fluorobenzene.
Chemical Property Profile of 3-Fluorobenzal Bromide
Property Insights of 3-Fluorobenzal Bromide
The XLogP value of 3.8 indicates that 3-Fluorobenzal Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorobenzal Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzal Bromide 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-Fluorobenzal Bromide?
The CAS number of 3-Fluorobenzal Bromide is 455-34-5.
What is the molecular formula of 3-Fluorobenzal Bromide?
The molecular formula of 3-Fluorobenzal Bromide is C7H5Br2F.
What is the molecular weight of 3-Fluorobenzal Bromide?
The molecular weight of 3-Fluorobenzal Bromide is 265.87 g/mol.
Where can I buy 3-Fluorobenzal Bromide?
You can request a quote for 3-Fluorobenzal Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzal Bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzal Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.