二氯化苄
TL;DR: 二氯化苄 (CAS 98-87-3) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯化苄
dichloromethylbenzene
Also Known As: Benzal chloride, Dichloromethylbenzene, Benzylidene chloride, Benzyl dichloride, Chlorobenzal
| Molecular Formula | C7H6Cl2 |
|---|---|
| Molecular Weight | 159.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98465 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
| Melting Point | -16.4 °C |
| Boiling Point | 205.0 °C at 760 mmHg |
| Density | 1.26 |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| Flash Point | 92.2 °C |
| Vapor Pressure | 1 mmHg at 35.4 °C |
| Refractive Index | 1.5502 AT 20 °C |
Chemical Identifiers
| CAS Number | 98-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(Cl)Cl |
| InChIKey | CAHQGWAXKLQREW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯化苄 (CAS 98-87-3), with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol. IUPAC: dichloromethylbenzene.
Chemical Property Profile of 二氯化苄
Property Insights of 二氯化苄
The XLogP value of 3.0 indicates that 二氯化苄 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二氯化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯化苄 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 二氯化苄?
The CAS number of 二氯化苄 is 98-87-3.
What is the molecular formula of 二氯化苄?
The molecular formula of 二氯化苄 is C7H6Cl2.
What is the molecular weight of 二氯化苄?
The molecular weight of 二氯化苄 is 159.98 g/mol.
Where can I buy 二氯化苄?
You can request a quote for 二氯化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯化苄?
Yes, KEHONG BIO provides custom synthesis services for 二氯化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.