间氨基三氟甲苯
TL;DR: 间氨基三氟甲苯 (CAS 98-16-8) is a chemical compound with molecular formula C7H6F3N and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间氨基三氟甲苯
3-(trifluoromethyl)aniline
Also Known As: 3-(Trifluoromethyl)aniline, 3-Aminobenzotrifluoride, m-Aminobenzotrifluoride, 3-Trifluoromethylaniline, m-Abtf
| Molecular Formula | C7H6F3N |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04523 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Melting Point | 2.8 °C |
| Boiling Point | 187.5 °C at 764 mmHg |
| Density | 1.303 at 15.5 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 85.0 °C |
| Vapor Pressure | 0.59 [mmHg] |
| Refractive Index | 1.4787 @ 20 °C; MAX ABSORPTION (ALCOHOL): 296 NM (LOG E= 3.45) |
Chemical Identifiers
| CAS Number | 98-16-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(F)(F)F |
| InChIKey | VIUDTWATMPPKEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间氨基三氟甲苯 (CAS 98-16-8), with molecular formula C7H6F3N and molecular weight 161.05 g/mol. IUPAC: 3-(trifluoromethyl)aniline.
Chemical Property Profile of 间氨基三氟甲苯
Property Insights of 间氨基三氟甲苯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间氨基三氟甲苯. With a topological polar surface area (TPSA) of 26.0 Ų, 间氨基三氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间氨基三氟甲苯 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 间氨基三氟甲苯?
The CAS number of 间氨基三氟甲苯 is 98-16-8.
What is the molecular formula of 间氨基三氟甲苯?
The molecular formula of 间氨基三氟甲苯 is C7H6F3N.
What is the molecular weight of 间氨基三氟甲苯?
The molecular weight of 间氨基三氟甲苯 is 161.05 g/mol.
Where can I buy 间氨基三氟甲苯?
You can request a quote for 间氨基三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间氨基三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 间氨基三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.