Benzenamine, 3-(trichloroethenyl)-
TL;DR: Benzenamine, 3-(trichloroethenyl)- (CAS 704-22-3) is a chemical compound with molecular formula C8H6Cl3N and molecular weight 220.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2,2-trichloroethenyl)aniline
Also Known As: 3-(1,2,2-trichloroethenyl)aniline, Benzenamine, 3-(trichloroethenyl)-, 3-(Trichloroethenyl)benzenamine, 3-(1,2,2-trichloroethenyl)Benzenamine, 2-(3-aminophenyl)-1,1,2-trichloroethylene
| Molecular Formula | C8H6Cl3N |
|---|---|
| Molecular Weight | 220.96 g/mol |
| LogP | 3.6113 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.95659 |
| Heavy Atoms | 12 |
| Complexity | 315.83395 |
Chemical Identifiers
| CAS Number | 704-22-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(=C(Cl)Cl)Cl |
Product Overview
Benzenamine, 3-(trichloroethenyl)- (CAS 704-22-3), with molecular formula C8H6Cl3N and molecular weight 220.96 g/mol. IUPAC: 3-(1,2,2-trichloroethenyl)aniline.
Chemical Property Profile of Benzenamine, 3-(trichloroethenyl)-
Property Insights of Benzenamine, 3-(trichloroethenyl)-
The XLogP value of 3.6113 indicates that Benzenamine, 3-(trichloroethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, Benzenamine, 3-(trichloroethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3-(trichloroethenyl)- has 1 hydrogen bond donor(s) and 1 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 Benzenamine, 3-(trichloroethenyl)-?
The CAS number of Benzenamine, 3-(trichloroethenyl)- is 704-22-3.
What is the molecular formula of Benzenamine, 3-(trichloroethenyl)-?
The molecular formula of Benzenamine, 3-(trichloroethenyl)- is C8H6Cl3N.
What is the molecular weight of Benzenamine, 3-(trichloroethenyl)-?
The molecular weight of Benzenamine, 3-(trichloroethenyl)- is 220.96 g/mol.
Where can I buy Benzenamine, 3-(trichloroethenyl)-?
You can request a quote for Benzenamine, 3-(trichloroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3-(trichloroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-(trichloroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.