Benzonitrile, 2,3,6-trichloro-
TL;DR: Benzonitrile, 2,3,6-trichloro- (CAS 4681-11-2) is a chemical compound with molecular formula C7H2Cl3N and molecular weight 204.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trichlorobenzonitrile
Also Known As: 2,3,6-Trichlorobenzonitrile, Benzonitrile, 2,3,6-trichloro-, 2,3,6-trichloro-benzonitrile, Hydroxylammonium oxalate (2:1), RefChem:327977
| Molecular Formula | C7H2Cl3N |
|---|---|
| Molecular Weight | 204.93 g/mol |
| LogP | 3.51848 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.92528 |
| Heavy Atoms | 11 |
| Complexity | 327.19296 |
Chemical Identifiers
| CAS Number | 4681-11-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C#N)Cl)Cl |
Product Overview
Benzonitrile, 2,3,6-trichloro- (CAS 4681-11-2), with molecular formula C7H2Cl3N and molecular weight 204.93 g/mol. IUPAC: 2,3,6-trichlorobenzonitrile.
Chemical Property Profile of Benzonitrile, 2,3,6-trichloro-
Property Insights of Benzonitrile, 2,3,6-trichloro-
The XLogP value of 3.51848 indicates that Benzonitrile, 2,3,6-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Benzonitrile, 2,3,6-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2,3,6-trichloro- 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 Benzonitrile, 2,3,6-trichloro-?
The CAS number of Benzonitrile, 2,3,6-trichloro- is 4681-11-2.
What is the molecular formula of Benzonitrile, 2,3,6-trichloro-?
The molecular formula of Benzonitrile, 2,3,6-trichloro- is C7H2Cl3N.
What is the molecular weight of Benzonitrile, 2,3,6-trichloro-?
The molecular weight of Benzonitrile, 2,3,6-trichloro- is 204.93 g/mol.
Where can I buy Benzonitrile, 2,3,6-trichloro-?
You can request a quote for Benzonitrile, 2,3,6-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2,3,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2,3,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.