2-Chloro-6-fluorobenzalmalononitrile
TL;DR: 2-Chloro-6-fluorobenzalmalononitrile (CAS 36937-88-9) is a chemical compound with molecular formula C10H4ClFN2 and molecular weight 206.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylidene]propanedinitrile
Also Known As: 2-Chloro-6-fluorobenzalmalononitrile, Maybridge1_002802, 2-[(2-chloro-6-fluorophenyl)methylidene]propanedinitrile, DivK1c_001554, CDS1_000514
| Molecular Formula | C10H4ClFN2 |
|---|---|
| Molecular Weight | 206.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0047 |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 36937-88-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C=C(C#N)C#N)F |
| InChIKey | BNHYEOYUVVJRCF-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-fluorobenzalmalononitrile (CAS 36937-88-9), with molecular formula C10H4ClFN2 and molecular weight 206.00 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-Chloro-6-fluorobenzalmalononitrile
Property Insights of 2-Chloro-6-fluorobenzalmalononitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorobenzalmalononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Chloro-6-fluorobenzalmalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzalmalononitrile 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 2-Chloro-6-fluorobenzalmalononitrile?
The CAS number of 2-Chloro-6-fluorobenzalmalononitrile is 36937-88-9.
What is the molecular formula of 2-Chloro-6-fluorobenzalmalononitrile?
The molecular formula of 2-Chloro-6-fluorobenzalmalononitrile is C10H4ClFN2.
What is the molecular weight of 2-Chloro-6-fluorobenzalmalononitrile?
The molecular weight of 2-Chloro-6-fluorobenzalmalononitrile is 206.00 g/mol.
Where can I buy 2-Chloro-6-fluorobenzalmalononitrile?
You can request a quote for 2-Chloro-6-fluorobenzalmalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluorobenzalmalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzalmalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.