1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
TL;DR: 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- (CAS 2078-01-5) is a chemical compound with molecular formula C7H6F3N3O2 and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine, 4-N-propyl-4-heptanol, 3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE, 3-Nitro-5-(trifluoromethyl)-1,2-benzenediamine, 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
| Molecular Formula | C7H6F3N3O2 |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 1.778 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.04121 |
| Heavy Atoms | 15 |
| Complexity | 416.67682 |
Chemical Identifiers
| CAS Number | 2078-01-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)N)[N+](=O)[O-])C(F)(F)F |
Product Overview
1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- (CAS 2078-01-5), with molecular formula C7H6F3N3O2 and molecular weight 221.04 g/mol. IUPAC: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
Property Insights of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-
The XLogP value of 1.778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-. Following Lipinski's Rule of Five, 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- has 2 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 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-?
The CAS number of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- is 2078-01-5.
What is the molecular formula of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-?
The molecular formula of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- is C7H6F3N3O2.
What is the molecular weight of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-?
The molecular weight of 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- is 221.04 g/mol.
Where can I buy 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-?
You can request a quote for 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.