1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-
TL;DR: 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- (CAS 7232-91-9) is a chemical compound with molecular formula C9Cl3N3 and molecular weight 254.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
Also Known As: Trichlorotrimesonitrile, 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile, 2,4,6-Trichlorotrimesonitrile, C9Cl3N3, 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-
| Molecular Formula | C9Cl3N3 |
|---|---|
| Molecular Weight | 254.92 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.91579 |
| Heavy Atoms | 15 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 7232-91-9 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)C#N)Cl |
| InChIKey | LBLQEGBXQYLSEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- (CAS 7232-91-9), with molecular formula C9Cl3N3 and molecular weight 254.92 g/mol. IUPAC: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-
Property Insights of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- has 0 hydrogen bond donor(s) and 3 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 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- is 7232-91-9.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- is C9Cl3N3.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- is 254.92 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 2,4,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.