3,4-Dichloroaniline
TL;DR: 3,4-Dichloroaniline (CAS 95-76-1) is a chemical compound with molecular formula C6H5Cl2N and molecular weight 160.9799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dichloroaniline
Also Known As: 3,4-DICHLOROANILINE, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, 3,4-Dichloranilin, 4,5-Dichloroaniline
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5Cl2N |
| Molecular Weight | 160.9799 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9799 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 162 °F (NTP, 1992) |
| Boiling Point | 522 °F at 760 mmHg (NTP, 1992) |
| Density | 1.33 at 185 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 331 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 178 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1N)Cl)Cl |
| InChIKey | SDYWXFYBZPNOFX-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dichloroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3,4-Dichloroaniline (CAS 95-76-1) is a heterocyclic building block with the molecular formula C6H5Cl2N and a molecular weight of 160.98 g/mol. Key physical properties include a density of 1.33 at 185 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70.7 °F (NTP, 1992). Synonyms include 3,4-DICHLOROANILINE and 3,4-Dichloraniline.
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 3,4-Dichloroaniline
Property Insights of 3,4-Dichloroaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichloroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-Dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloroaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dichloroaniline?
The CAS number of 3,4-Dichloroaniline is 95-76-1.
What is the molecular formula of 3,4-Dichloroaniline?
The molecular formula of 3,4-Dichloroaniline is C6H5Cl2N.
What is the molecular weight of 3,4-Dichloroaniline?
The molecular weight of 3,4-Dichloroaniline is 160.9799 g/mol.
What are the applications of 3,4-Dichloroaniline?
3,4-Dichloroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3,4-Dichloroaniline?
You can request a quote for 3,4-Dichloroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichloroaniline?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.