1-Chloro-4-isocyano-2-(trifluoromethyl)benzene
TL;DR: 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene (CAS 220145-77-7) is a chemical compound with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-isocyano-2-(trifluoromethyl)benzene
Also Known As: 5-Isocyano-2-chlorobenzotrifluoride, 1-chloro-4-isocyano-2-(trifluoromethyl)benzene, 4-Chloro-3-trifluoromethylphenylisocyanide, Benzene, 1-chloro-4-isocyano-2-(trifluoromethyl)-, 1-(<<(9H-fluoren-9-ylmethoxy)carbonyl>amino>methyl)cyclohexane-1-carboxylic acid
| Molecular Formula | C8H3ClF3N |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 3.90959 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.99062 |
| Heavy Atoms | 13 |
| Complexity | 364.6324 |
Chemical Identifiers
| CAS Number | 220145-77-7 |
|---|---|
| SMILES | [C-]#[N+]C1=CC(=C(C=C1)Cl)C(F)(F)F |
Product Overview
1-Chloro-4-isocyano-2-(trifluoromethyl)benzene (CAS 220145-77-7), with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol. IUPAC: 1-chloro-4-isocyano-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene
Property Insights of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene
The XLogP value of 3.90959 indicates that 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 0 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-Chloro-4-isocyano-2-(trifluoromethyl)benzene?
The CAS number of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene is 220145-77-7.
What is the molecular formula of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene?
The molecular formula of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene is C8H3ClF3N.
What is the molecular weight of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene?
The molecular weight of 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene is 204.99 g/mol.
Where can I buy 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene?
You can request a quote for 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.