1-Isocyanato-4-(trichloromethyl)benzene
TL;DR: 1-Isocyanato-4-(trichloromethyl)benzene (CAS 709-66-0) is a chemical compound with molecular formula C8H4Cl3NO and molecular weight 234.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(trichloromethyl)benzene
Also Known As: 1-isocyanato-4-(trichloromethyl)benzene, 4-Trichloromethylphenyl isocyanate, Benzene, 1-isocyanato-4-(trichloromethyl)-, 4-Trichloromethylphenyl isocyanate, 90%, RefChem:231140
| Molecular Formula | C8H4Cl3NO |
|---|---|
| Molecular Weight | 234.94 g/mol |
| LogP | 3.4806 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.93585 |
| Heavy Atoms | 13 |
| Complexity | 335.40192 |
Chemical Identifiers
| CAS Number | 709-66-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(Cl)(Cl)Cl)N=C=O |
Product Overview
1-Isocyanato-4-(trichloromethyl)benzene (CAS 709-66-0), with molecular formula C8H4Cl3NO and molecular weight 234.94 g/mol. IUPAC: 1-isocyanato-4-(trichloromethyl)benzene.
Chemical Property Profile of 1-Isocyanato-4-(trichloromethyl)benzene
Property Insights of 1-Isocyanato-4-(trichloromethyl)benzene
The XLogP value of 3.4806 indicates that 1-Isocyanato-4-(trichloromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isocyanato-4-(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-4-(trichloromethyl)benzene has 0 hydrogen bond donor(s) and 2 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-Isocyanato-4-(trichloromethyl)benzene?
The CAS number of 1-Isocyanato-4-(trichloromethyl)benzene is 709-66-0.
What is the molecular formula of 1-Isocyanato-4-(trichloromethyl)benzene?
The molecular formula of 1-Isocyanato-4-(trichloromethyl)benzene is C8H4Cl3NO.
What is the molecular weight of 1-Isocyanato-4-(trichloromethyl)benzene?
The molecular weight of 1-Isocyanato-4-(trichloromethyl)benzene is 234.94 g/mol.
Where can I buy 1-Isocyanato-4-(trichloromethyl)benzene?
You can request a quote for 1-Isocyanato-4-(trichloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-4-(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-4-(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.