苯基异腈
TL;DR: 苯基异腈 (CAS 931-54-4) is a chemical compound with molecular formula C7H5N and molecular weight 103.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基异腈
isocyanobenzene
Also Known As: ISOCYANOBENZENE, Phenyl isocyanide, Benzene, isocyano-, Phenylisocyanide, 1-isocyanobenzene
| Molecular Formula | C7H5N |
|---|---|
| Molecular Weight | 103.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.0422 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
| Vapor Pressure | 2.4 [mmHg] |
Chemical Identifiers
| CAS Number | 931-54-4 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC=C1 |
| InChIKey | RCIBIGQXGCBBCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基异腈 (CAS 931-54-4), with molecular formula C7H5N and molecular weight 103.04 g/mol. IUPAC: isocyanobenzene.
Chemical Property Profile of 苯基异腈
Property Insights of 苯基异腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯基异腈. With a topological polar surface area (TPSA) of 4.4 Ų, 苯基异腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基异腈 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 苯基异腈?
The CAS number of 苯基异腈 is 931-54-4.
What is the molecular formula of 苯基异腈?
The molecular formula of 苯基异腈 is C7H5N.
What is the molecular weight of 苯基异腈?
The molecular weight of 苯基异腈 is 103.04 g/mol.
Where can I buy 苯基异腈?
You can request a quote for 苯基异腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基异腈?
Yes, KEHONG BIO provides custom synthesis services for 苯基异腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.