Malononitrile, (2,3,6-trichlorobenzylidene)-
TL;DR: Malononitrile, (2,3,6-trichlorobenzylidene)- (CAS 6716-56-9) is a chemical compound with molecular formula C10H3Cl3N2 and molecular weight 255.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3,6-trichlorophenyl)methylidene]propanedinitrile
Also Known As: 2,3,6-Trichlorobenzylidenemalononitrile, MALONONITRILE, (2,3,6-TRICHLOROBENZYLIDENE)-, 2-(2,3,6-Trichlorobenzylidene)malononitrile, 2-[(2,3,6-trichlorophenyl)methylidene]propanedinitrile, [(2,3,6-Trichlorophenyl)methylidene]propanedinitrile
| Molecular Formula | C10H3Cl3N2 |
|---|---|
| Molecular Weight | 255.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.93619 |
| Heavy Atoms | 15 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 6716-56-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C=C(C#N)C#N)Cl)Cl |
| InChIKey | YSRDGZIPOBZBCA-UHFFFAOYSA-N |
Product Overview
Malononitrile, (2,3,6-trichlorobenzylidene)- (CAS 6716-56-9), with molecular formula C10H3Cl3N2 and molecular weight 255.94 g/mol. IUPAC: 2-[(2,3,6-trichlorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (2,3,6-trichlorobenzylidene)-
Property Insights of Malononitrile, (2,3,6-trichlorobenzylidene)-
The XLogP value of 3.9 indicates that Malononitrile, (2,3,6-trichlorobenzylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile, (2,3,6-trichlorobenzylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (2,3,6-trichlorobenzylidene)- has 0 hydrogen bond donor(s) and 2 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 Malononitrile, (2,3,6-trichlorobenzylidene)-?
The CAS number of Malononitrile, (2,3,6-trichlorobenzylidene)- is 6716-56-9.
What is the molecular formula of Malononitrile, (2,3,6-trichlorobenzylidene)-?
The molecular formula of Malononitrile, (2,3,6-trichlorobenzylidene)- is C10H3Cl3N2.
What is the molecular weight of Malononitrile, (2,3,6-trichlorobenzylidene)-?
The molecular weight of Malononitrile, (2,3,6-trichlorobenzylidene)- is 255.94 g/mol.
Where can I buy Malononitrile, (2,3,6-trichlorobenzylidene)-?
You can request a quote for Malononitrile, (2,3,6-trichlorobenzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (2,3,6-trichlorobenzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (2,3,6-trichlorobenzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.