4-氯邻苯二胺
TL;DR: 4-氯邻苯二胺 (CAS 95-83-0) is a chemical compound with molecular formula C6H7ClN2 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯邻苯二胺
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
| Molecular Formula | C6H7ClN2 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02977 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 153 to 70.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00206 [mmHg] |
Chemical Identifiers
| CAS Number | 95-83-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)N |
| InChIKey | BXIXXXYDDJVHDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯邻苯二胺 (CAS 95-83-0), with molecular formula C6H7ClN2 and molecular weight 142.03 g/mol. IUPAC: 4-chlorobenzene-1,2-diamine.
Chemical Property Profile of 4-氯邻苯二胺
Property Insights of 4-氯邻苯二胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯邻苯二胺. With a topological polar surface area (TPSA) of 52.0 Ų, 4-氯邻苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯邻苯二胺 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
Frequently Asked Questions
What is the CAS number of 4-氯邻苯二胺?
The CAS number of 4-氯邻苯二胺 is 95-83-0.
What is the molecular formula of 4-氯邻苯二胺?
The molecular formula of 4-氯邻苯二胺 is C6H7ClN2.
What is the molecular weight of 4-氯邻苯二胺?
The molecular weight of 4-氯邻苯二胺 is 142.03 g/mol.
Where can I buy 4-氯邻苯二胺?
You can request a quote for 4-氯邻苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯邻苯二胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯邻苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.