4-Chloro-o-phenylenediamine
TL;DR: 4-Chloro-o-phenylenediamine (CAS 95-83-0) is a chemical compound with molecular formula C6H7ClN2 and molecular weight 142.02977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzene-1,2-diamine
Also Known As: 4-chlorobenzene-1,2-diamine, 4-Chloro-o-phenylenediamine, 4-Chloro-1,2-diaminobenzene, 4-Chloro-1,2-phenylenediamine, Ursol Olive 6G
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7ClN2 |
| Molecular Weight | 142.02977 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02977 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 153 to 158 °F (NTP, 1992) |
| Vapor Pressure | 0.00206 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1Cl)N)N |
| InChIKey | BXIXXXYDDJVHDL-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-o-phenylenediamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials 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).
A heterocyclic building block supplied by CoreyChem, 4-Chloro-o-phenylenediamine (CAS 95-83-0) has the molecular formula C6H7ClN2 and a molecular weight of 142.03 g/mol. Reported properties include a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). Synonyms include 4-chlorobenzene-1,2-diamine and 4-Chloro-o-phenylenediamine.
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 4-Chloro-o-phenylenediamine
Property Insights of 4-Chloro-o-phenylenediamine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-o-phenylenediamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Chloro-o-phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-o-phenylenediamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-o-phenylenediamine?
The CAS number of 4-Chloro-o-phenylenediamine is 95-83-0.
What is the molecular formula of 4-Chloro-o-phenylenediamine?
The molecular formula of 4-Chloro-o-phenylenediamine is C6H7ClN2.
What is the molecular weight of 4-Chloro-o-phenylenediamine?
The molecular weight of 4-Chloro-o-phenylenediamine is 142.02977 g/mol.
What are the applications of 4-Chloro-o-phenylenediamine?
4-Chloro-o-phenylenediamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 4-Chloro-o-phenylenediamine?
You can request a quote for 4-Chloro-o-phenylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-o-phenylenediamine?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-o-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.