3-氯苯甲腈
TL;DR: 3-氯苯甲腈 (CAS 766-84-7) 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.
3-氯苯甲腈
3-chlorobenzonitrile
Also Known As: 3-Chlorobenzonitrile, m-Chlorobenzonitrile, Benzonitrile, 3-chloro-, m-Cyanochlorobenzene, M-chloro benzonitrile
| Molecular Formula | C7H4ClN |
|---|---|
| Molecular Weight | 137.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.00322 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 766-84-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C#N |
| InChIKey | WBUOVKBZJOIOAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯甲腈 (CAS 766-84-7), with molecular formula C7H4ClN and molecular weight 137.00 g/mol. IUPAC: 3-chlorobenzonitrile.
Chemical Property Profile of 3-氯苯甲腈
Property Insights of 3-氯苯甲腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 3-氯苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯苯甲腈 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 3-氯苯甲腈?
The CAS number of 3-氯苯甲腈 is 766-84-7.
What is the molecular formula of 3-氯苯甲腈?
The molecular formula of 3-氯苯甲腈 is C7H4ClN.
What is the molecular weight of 3-氯苯甲腈?
The molecular weight of 3-氯苯甲腈 is 137.00 g/mol.
Where can I buy 3-氯苯甲腈?
You can request a quote for 3-氯苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.