2-(氯甲基)苄腈
TL;DR: 2-(氯甲基)苄腈 (CAS 612-13-5) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氯甲基)苄腈
2-(chloromethyl)benzonitrile
Also Known As: 2-(Chloromethyl)benzonitrile, 2-Cyanobenzyl chloride, 2-Cyanobenzylchloride, o-Cyanobenzylchloride, 2-Chloromethylbenzonitrile
| Molecular Formula | C8H6ClN |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.01888 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 612-13-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCl)C#N |
| InChIKey | ZSHNOXOGXHXLAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(氯甲基)苄腈 (CAS 612-13-5), with molecular formula C8H6ClN and molecular weight 151.02 g/mol. IUPAC: 2-(chloromethyl)benzonitrile.
Chemical Property Profile of 2-(氯甲基)苄腈
Property Insights of 2-(氯甲基)苄腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氯甲基)苄腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(氯甲基)苄腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(氯甲基)苄腈 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 2-(氯甲基)苄腈?
The CAS number of 2-(氯甲基)苄腈 is 612-13-5.
What is the molecular formula of 2-(氯甲基)苄腈?
The molecular formula of 2-(氯甲基)苄腈 is C8H6ClN.
What is the molecular weight of 2-(氯甲基)苄腈?
The molecular weight of 2-(氯甲基)苄腈 is 151.02 g/mol.
Where can I buy 2-(氯甲基)苄腈?
You can request a quote for 2-(氯甲基)苄腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氯甲基)苄腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(氯甲基)苄腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.