Benzal chloride
TL;DR: Benzal chloride (CAS 98-87-3) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
二氯甲基苯
dichloromethylbenzene
Also Known As: Benzal chloride, Dichloromethylbenzene, Benzylidene chloride, Benzyl dichloride, Chlorobenzal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6Cl2 |
| Molecular Weight | 159.98465 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98465 Da |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
| Melting Point | 2.48 °F (EPA, 1998) |
| Boiling Point | 401 °F at 760 mmHg (EPA, 1998) |
| Density | 1.26 (EPA, 1998) - Denser than water; will sink |
| Flash Point | 198 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 95.72 °F (EPA, 1998) |
| Refractive Index | INDEX OF REFRACTION: 1.5502 AT 20 °C |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C(Cl)Cl |
| InChIKey | CAHQGWAXKLQREW-UHFFFAOYSA-N |
Product Description
Applications: Benzal chloride is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzal chloride (CAS 98-87-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, Benzal chloride (CAS 98-87-3) has the molecular formula C7H6Cl2 and a molecular weight of 159.98 g/mol. Reported properties include a density of 1.26 (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 63 °F (NTP, 1992). It is also known as Benzal chloride and Dichloromethylbenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzal chloride
Property Insights of Benzal chloride
The XLogP value of 3.0 indicates that Benzal chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzal chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzal chloride 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 Benzal chloride?
The CAS number of Benzal chloride is 98-87-3.
What is the molecular formula of Benzal chloride?
The molecular formula of Benzal chloride is C7H6Cl2.
What is the molecular weight of Benzal chloride?
The molecular weight of Benzal chloride is 159.98465 g/mol.
What are the applications of Benzal chloride?
Benzal chloride is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzal chloride (CAS 98-87-3) with...
Where can I buy Benzal chloride?
You can request a quote for Benzal chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzal chloride?
Yes, CoreyChem provides custom synthesis services for Benzal chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.