1-Chloro-4-(isocyanatomethyl)benzene
TL;DR: 1-Chloro-4-(isocyanatomethyl)benzene (CAS 30280-44-5) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(isocyanatomethyl)benzene
Also Known As: 4-Chlorobenzyl isocyanate, 1-chloro-4-(isocyanatomethyl)benzene, 4-chlorobenzylisocyanate, 4-chloro-benzylisocyanate, Benzene, 1-chloro-4-(isocyanatomethyl)-
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.1758 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 274.64847 |
Chemical Identifiers
| CAS Number | 30280-44-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=O)Cl |
Product Overview
1-Chloro-4-(isocyanatomethyl)benzene (CAS 30280-44-5), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 1-chloro-4-(isocyanatomethyl)benzene.
Chemical Property Profile of 1-Chloro-4-(isocyanatomethyl)benzene
Property Insights of 1-Chloro-4-(isocyanatomethyl)benzene
The XLogP value of 2.1758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(isocyanatomethyl)benzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Chloro-4-(isocyanatomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(isocyanatomethyl)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-Chloro-4-(isocyanatomethyl)benzene?
The CAS number of 1-Chloro-4-(isocyanatomethyl)benzene is 30280-44-5.
What is the molecular formula of 1-Chloro-4-(isocyanatomethyl)benzene?
The molecular formula of 1-Chloro-4-(isocyanatomethyl)benzene is C8H6ClNO.
What is the molecular weight of 1-Chloro-4-(isocyanatomethyl)benzene?
The molecular weight of 1-Chloro-4-(isocyanatomethyl)benzene is 167.01 g/mol.
Where can I buy 1-Chloro-4-(isocyanatomethyl)benzene?
You can request a quote for 1-Chloro-4-(isocyanatomethyl)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-(isocyanatomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(isocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.