Chlorophenyl isocyanate
TL;DR: Chlorophenyl isocyanate (CAS 3320-83-0) is a chemical compound with molecular formula C7H4ClNO and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-isocyanatobenzene
Also Known As: 2-Chlorophenyl isocyanate, 1-Chloro-2-isocyanatobenzene, o-Chlorophenyl isocyanate, 2-Chlorophenylisocyanate, Chlorophenyl isocyanate
| Molecular Formula | C7H4ClNO |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.99814 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 3320-83-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C=O)Cl |
| InChIKey | NOHQUGRVHSJYMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorophenyl isocyanate (CAS 3320-83-0), with molecular formula C7H4ClNO and molecular weight 153.00 g/mol. IUPAC: 1-chloro-2-isocyanatobenzene.
Chemical Property Profile of Chlorophenyl isocyanate
Property Insights of Chlorophenyl isocyanate
The XLogP value of 3.4 indicates that Chlorophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Chlorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorophenyl isocyanate 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 Chlorophenyl isocyanate?
The CAS number of Chlorophenyl isocyanate is 3320-83-0.
What is the molecular formula of Chlorophenyl isocyanate?
The molecular formula of Chlorophenyl isocyanate is C7H4ClNO.
What is the molecular weight of Chlorophenyl isocyanate?
The molecular weight of Chlorophenyl isocyanate is 153.00 g/mol.
Where can I buy Chlorophenyl isocyanate?
You can request a quote for Chlorophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Chlorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.