4-Chlorophenyl isocyanide
TL;DR: 4-Chlorophenyl isocyanide (CAS 1885-81-0) is a chemical compound with molecular formula C7H4ClN and molecular weight 137.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-isocyanobenzene
Also Known As: 1-chloro-4-isocyanobenzene, 4-Chlorophenyl isocyanide, p-Chlorophenyl isonitrile, p-Chlorphenylisocyanid, 4-Chlor-phenylisocyanid
| Molecular Formula | C7H4ClN |
|---|---|
| Molecular Weight | 137.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.00322 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 1885-81-0 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=C(C=C1)Cl |
| InChIKey | QPPCIPBFKQOIMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl isocyanide (CAS 1885-81-0), with molecular formula C7H4ClN and molecular weight 137.00 g/mol. IUPAC: 1-chloro-4-isocyanobenzene.
Chemical Property Profile of 4-Chlorophenyl isocyanide
Property Insights of 4-Chlorophenyl isocyanide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 4-Chlorophenyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl isocyanide 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
Frequently Asked Questions
What is the CAS number of 4-Chlorophenyl isocyanide?
The CAS number of 4-Chlorophenyl isocyanide is 1885-81-0.
What is the molecular formula of 4-Chlorophenyl isocyanide?
The molecular formula of 4-Chlorophenyl isocyanide is C7H4ClN.
What is the molecular weight of 4-Chlorophenyl isocyanide?
The molecular weight of 4-Chlorophenyl isocyanide is 137.00 g/mol.
Where can I buy 4-Chlorophenyl isocyanide?
You can request a quote for 4-Chlorophenyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.