1,4-Dichlorobenzene
TL;DR: 1,4-Dichlorobenzene (CAS 106-46-7) is a chemical compound with molecular formula C6H4Cl2 and molecular weight 145.96901 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichlorobenzene
Also Known As: 1,4-DICHLOROBENZENE, p-Dichlorobenzene, Paracide, Paramoth, paradichlorobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2 |
| Molecular Weight | 145.96901 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.96901 Da |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| Melting Point | 127 °F (NTP, 1992) |
| Boiling Point | 345 °F at 760 mmHg (NTP, 1992) |
| Density | 1.458 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 150 °F (NTP, 1992) |
| Vapor Pressure | 0.6 mmHg at 68 °F ; 1.8 mmHg at 86 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1Cl)Cl |
| InChIKey | OCJBOOLMMGQPQU-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dichlorobenzene
Property Insights of 1,4-Dichlorobenzene
The XLogP value of 3.4 indicates that 1,4-Dichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobenzene 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
What is the CAS number of 1,4-Dichlorobenzene?
The CAS number of 1,4-Dichlorobenzene is 106-46-7.
What is the molecular formula of 1,4-Dichlorobenzene?
The molecular formula of 1,4-Dichlorobenzene is C6H4Cl2.
What is the molecular weight of 1,4-Dichlorobenzene?
The molecular weight of 1,4-Dichlorobenzene is 145.96901 g/mol.
Where can I buy 1,4-Dichlorobenzene?
You can request a quote for 1,4-Dichlorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dichlorobenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Dichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.