4-氯-2-(三氟甲基)苯胺
TL;DR: 4-氯-2-(三氟甲基)苯胺 (CAS 445-03-4) is a chemical compound with molecular formula C7H5ClF3N and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2-(三氟甲基)苯胺
4-chloro-2-(trifluoromethyl)aniline
Also Known As: 4-Chloro-2-(trifluoromethyl)aniline, 2-Amino-5-chlorobenzotrifluoride, Scarlet Salt NVD, Fast Scarlet VD Salt, 2-Fluoroacetophenone
| Molecular Formula | C7H5ClF3N |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.00626 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 445-03-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)N |
| InChIKey | CVINWVPRKDIGLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2-(三氟甲基)苯胺 (CAS 445-03-4), with molecular formula C7H5ClF3N and molecular weight 195.01 g/mol. IUPAC: 4-chloro-2-(trifluoromethyl)aniline.
Chemical Property Profile of 4-氯-2-(三氟甲基)苯胺
Property Insights of 4-氯-2-(三氟甲基)苯胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2-(三氟甲基)苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 4-氯-2-(三氟甲基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2-(三氟甲基)苯胺 has 1 hydrogen bond donor(s) and 4 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-2-(三氟甲基)苯胺?
The CAS number of 4-氯-2-(三氟甲基)苯胺 is 445-03-4.
What is the molecular formula of 4-氯-2-(三氟甲基)苯胺?
The molecular formula of 4-氯-2-(三氟甲基)苯胺 is C7H5ClF3N.
What is the molecular weight of 4-氯-2-(三氟甲基)苯胺?
The molecular weight of 4-氯-2-(三氟甲基)苯胺 is 195.01 g/mol.
Where can I buy 4-氯-2-(三氟甲基)苯胺?
You can request a quote for 4-氯-2-(三氟甲基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2-(三氟甲基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2-(三氟甲基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.