3,3'-Dichlorobenzidine
TL;DR: 3,3'-Dichlorobenzidine (CAS 91-94-1) is a chemical compound with molecular formula C12H10Cl2N2 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-amino-3-chlorophenyl)-2-chloroaniline
Also Known As: 3,3'-DICHLOROBENZIDINE, Dichlorobenzidine base, 3,3-Dichlorobenzidine, o,o'-Dichlorobenzidine, Curithane C126
| Molecular Formula | C12H10Cl2N2 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.02211 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
| Melting Point | 270 to 132.8 °C |
| Boiling Point | 420.0 °C at 760 mmHg |
| Solubility | 0.07 % at 59 °F (NIOSH, 2024) |
Chemical Identifiers
| CAS Number | 91-94-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N |
| InChIKey | HUWXDEQWWKGHRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dichlorobenzidine (CAS 91-94-1), with molecular formula C12H10Cl2N2 and molecular weight 252.02 g/mol. IUPAC: 4-(4-amino-3-chlorophenyl)-2-chloroaniline.
Chemical Property Profile of 3,3'-Dichlorobenzidine
Property Insights of 3,3'-Dichlorobenzidine
The XLogP value of 3.5 indicates that 3,3'-Dichlorobenzidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 3,3'-Dichlorobenzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dichlorobenzidine 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 3,3'-Dichlorobenzidine?
The CAS number of 3,3'-Dichlorobenzidine is 91-94-1.
What is the molecular formula of 3,3'-Dichlorobenzidine?
The molecular formula of 3,3'-Dichlorobenzidine is C12H10Cl2N2.
What is the molecular weight of 3,3'-Dichlorobenzidine?
The molecular weight of 3,3'-Dichlorobenzidine is 252.02 g/mol.
Where can I buy 3,3'-Dichlorobenzidine?
You can request a quote for 3,3'-Dichlorobenzidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dichlorobenzidine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dichlorobenzidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.