Alpha,alpha-dibromotoluene
TL;DR: Alpha,alpha-dibromotoluene (CAS 618-31-5) is a chemical compound with molecular formula C7H6Br2 and molecular weight 247.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibromomethylbenzene
Also Known As: (Dibromomethyl)benzene, Benzal bromide, DIBROMOMETHYLBENZENE, alpha,alpha-Dibromotoluene, Benzalbromid
| Molecular Formula | C7H6Br2 |
|---|---|
| Molecular Weight | 247.88 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.88158 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 618-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(Br)Br |
| InChIKey | VCJZTATVUDMNLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha,alpha-dibromotoluene (CAS 618-31-5), with molecular formula C7H6Br2 and molecular weight 247.88 g/mol. IUPAC: dibromomethylbenzene.
Chemical Property Profile of Alpha,alpha-dibromotoluene
Property Insights of Alpha,alpha-dibromotoluene
The XLogP value of 3.4 indicates that Alpha,alpha-dibromotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Alpha,alpha-dibromotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha,alpha-dibromotoluene 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 Alpha,alpha-dibromotoluene?
The CAS number of Alpha,alpha-dibromotoluene is 618-31-5.
What is the molecular formula of Alpha,alpha-dibromotoluene?
The molecular formula of Alpha,alpha-dibromotoluene is C7H6Br2.
What is the molecular weight of Alpha,alpha-dibromotoluene?
The molecular weight of Alpha,alpha-dibromotoluene is 247.88 g/mol.
Where can I buy Alpha,alpha-dibromotoluene?
You can request a quote for Alpha,alpha-dibromotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha,alpha-dibromotoluene?
Yes, KEHONG BIO provides custom synthesis services for Alpha,alpha-dibromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.