1-Chloro-4-(1-isocyanoethyl)benzene
TL;DR: 1-Chloro-4-(1-isocyanoethyl)benzene (CAS 131025-44-0) is a chemical compound with molecular formula C9H8ClN and molecular weight 165.03453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-(1-isocyanoethyl)benzene
Also Known As: 1-chloro-4-(1-isocyanoethyl)benzene, 1-(4-chlorophenyl)ethyl isocyanide, 1- ETHYLISOCYANIDE, HANSA ISN-0281, 1-(4-chlorophenyl)ethylisocyanide
Technical Specifications
| Molecular Formula | C9H8ClN |
| Molecular Weight | 165.03453 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.03453 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| SMILES | CC(C1=CC=C(C=C1)Cl)[N+]#[C-] |
| InChIKey | PTCRILROABBUQB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-4-(1-isocyanoethyl)benzene
Property Insights of 1-Chloro-4-(1-isocyanoethyl)benzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(1-isocyanoethyl)benzene. With a topological polar surface area (TPSA) of 4.4 Ų, 1-Chloro-4-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(1-isocyanoethyl)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-4-(1-isocyanoethyl)benzene?
The CAS number of 1-Chloro-4-(1-isocyanoethyl)benzene is 131025-44-0.
What is the molecular formula of 1-Chloro-4-(1-isocyanoethyl)benzene?
The molecular formula of 1-Chloro-4-(1-isocyanoethyl)benzene is C9H8ClN.
What is the molecular weight of 1-Chloro-4-(1-isocyanoethyl)benzene?
The molecular weight of 1-Chloro-4-(1-isocyanoethyl)benzene is 165.03453 g/mol.
Where can I buy 1-Chloro-4-(1-isocyanoethyl)benzene?
You can request a quote for 1-Chloro-4-(1-isocyanoethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-4-(1-isocyanoethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-4-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.