2,6-Dichloro-4-nitroaniline
TL;DR: 2,6-Dichloro-4-nitroaniline (CAS 99-30-9) is a chemical compound with molecular formula C6H4Cl2N2O2 and molecular weight 205.96498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-nitroaniline
Also Known As: Dicloran, Dichloran, 2,6-DICHLORO-4-NITROANILINE, Allisan, Botran
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2N2O2 |
| Molecular Weight | 205.96498 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.96498 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Melting Point | 374 to 378 °F (NTP, 1992) |
| Boiling Point | at 0.27kPa: 130 °C |
| Density | 0.28 (bulk) |
| Vapor Pressure | 1.2e-06 mmHg at 68 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 77 °F (NTP, 1992) |
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-] |
| InChIKey | BIXZHMJUSMUDOQ-UHFFFAOYSA-N |
Product Description
Applications: 2,6-Dichloro-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. 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).
2,6-Dichloro-4-nitroaniline is a heterocyclic building block identified by CAS number 99-30-9 and the molecular formula C6H4Cl2N2O2 and a molecular weight of 205.96 g/mol. Physically, the compound has a density of 0.28 (bulk) g/cm³, a solubility: less than 0.1 mg/mL at 77 °F (NTP, 1992). Synonyms include Dicloran and Dichloran.
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 2,6-Dichloro-4-nitroaniline
Property Insights of 2,6-Dichloro-4-nitroaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dichloro-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dichloro-4-nitroaniline. Following Lipinski's Rule of Five, 2,6-Dichloro-4-nitroaniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dichloro-4-nitroaniline?
The CAS number of 2,6-Dichloro-4-nitroaniline is 99-30-9.
What is the molecular formula of 2,6-Dichloro-4-nitroaniline?
The molecular formula of 2,6-Dichloro-4-nitroaniline is C6H4Cl2N2O2.
What is the molecular weight of 2,6-Dichloro-4-nitroaniline?
The molecular weight of 2,6-Dichloro-4-nitroaniline is 205.96498 g/mol.
What are the applications of 2,6-Dichloro-4-nitroaniline?
2,6-Dichloro-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 2,6-Dichloro-4-nitroaniline?
You can request a quote for 2,6-Dichloro-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dichloro-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2,6-Dichloro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.