2-氯-5-硝基三氟甲苯
TL;DR: 2-氯-5-硝基三氟甲苯 (CAS 777-37-7) is a chemical compound with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-5-硝基三氟甲苯
1-chloro-4-nitro-2-(trifluoromethyl)benzene
Also Known As: 2-Chloro-5-nitrobenzotrifluoride, 1-Chloro-4-nitro-2-(trifluoromethyl)benzene, 4-Chloro-3-(trifluoromethyl)nitrobenzene, BENZENE, 1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-, 3-(Trifluoromethyl)-4-chloronitrobenzene
| Molecular Formula | C7H3ClF3NO2 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.98044 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 777-37-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Cl |
| InChIKey | HQROXDLWVGFPDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-5-硝基三氟甲苯 (CAS 777-37-7), with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol. IUPAC: 1-chloro-4-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 2-氯-5-硝基三氟甲苯
Property Insights of 2-氯-5-硝基三氟甲苯
The XLogP value of 4.0 indicates that 2-氯-5-硝基三氟甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-氯-5-硝基三氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-5-硝基三氟甲苯 has 0 hydrogen bond donor(s) and 5 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 2-氯-5-硝基三氟甲苯?
The CAS number of 2-氯-5-硝基三氟甲苯 is 777-37-7.
What is the molecular formula of 2-氯-5-硝基三氟甲苯?
The molecular formula of 2-氯-5-硝基三氟甲苯 is C7H3ClF3NO2.
What is the molecular weight of 2-氯-5-硝基三氟甲苯?
The molecular weight of 2-氯-5-硝基三氟甲苯 is 224.98 g/mol.
Where can I buy 2-氯-5-硝基三氟甲苯?
You can request a quote for 2-氯-5-硝基三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-5-硝基三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-5-硝基三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.