Benzene, 1,3-bis(chloromethyl)-
TL;DR: Benzene, 1,3-bis(chloromethyl)- (CAS 626-16-4) is a chemical compound with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(chloromethyl)benzene
Also Known As: 1,3-Bis(chloromethyl)benzene, m-Xylylene dichloride, alpha,alpha'-Dichloro-m-xylene, m-Dichloroxylene, m-Bis(chloromethyl)benzene
| Molecular Formula | C8H8Cl2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0003 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 626-16-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CCl)CCl |
| InChIKey | GRJWOKACBGZOKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-bis(chloromethyl)- (CAS 626-16-4), with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol. IUPAC: 1,3-bis(chloromethyl)benzene.
Chemical Property Profile of Benzene, 1,3-bis(chloromethyl)-
Property Insights of Benzene, 1,3-bis(chloromethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,3-bis(chloromethyl)-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3-bis(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(chloromethyl)- 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 Benzene, 1,3-bis(chloromethyl)-?
The CAS number of Benzene, 1,3-bis(chloromethyl)- is 626-16-4.
What is the molecular formula of Benzene, 1,3-bis(chloromethyl)-?
The molecular formula of Benzene, 1,3-bis(chloromethyl)- is C8H8Cl2.
What is the molecular weight of Benzene, 1,3-bis(chloromethyl)-?
The molecular weight of Benzene, 1,3-bis(chloromethyl)- is 174.00 g/mol.
Where can I buy Benzene, 1,3-bis(chloromethyl)-?
You can request a quote for Benzene, 1,3-bis(chloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.