Malononitrile, ((4-chloro-2-nitrophenyl)azo)-
TL;DR: Malononitrile, ((4-chloro-2-nitrophenyl)azo)- (CAS 6017-52-3) is a chemical compound with molecular formula C9H4ClN5O2 and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2-nitrophenyl)diazenyl]propanedinitrile
Also Known As: ((4-Chloro-2-nitrophenyl)azo)malonontrile, 4-Chlor-2-nitro-phenyl-azo-malonitril, 4-Chlor-2-nitro-phenyl-azo-malonitril [German], MALONONITRILE, ((4-CHLORO-2-NITROPHENYL)AZO)-, 2-[(4-chloro-2-nitrophenyl)diazenyl]propanedinitrile
| Molecular Formula | C9H4ClN5O2 |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00536 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 6017-52-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])N=NC(C#N)C#N |
| InChIKey | IRBKMNDRNPKRID-UHFFFAOYSA-N |
Product Overview
Malononitrile, ((4-chloro-2-nitrophenyl)azo)- (CAS 6017-52-3), with molecular formula C9H4ClN5O2 and molecular weight 249.01 g/mol. IUPAC: 2-[(4-chloro-2-nitrophenyl)diazenyl]propanedinitrile.
Chemical Property Profile of Malononitrile, ((4-chloro-2-nitrophenyl)azo)-
Property Insights of Malononitrile, ((4-chloro-2-nitrophenyl)azo)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, ((4-chloro-2-nitrophenyl)azo)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, ((4-chloro-2-nitrophenyl)azo)-. Following Lipinski's Rule of Five, Malononitrile, ((4-chloro-2-nitrophenyl)azo)- has 0 hydrogen bond donor(s) and 6 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, ((4-chloro-2-nitrophenyl)azo)-?
The CAS number of Malononitrile, ((4-chloro-2-nitrophenyl)azo)- is 6017-52-3.
What is the molecular formula of Malononitrile, ((4-chloro-2-nitrophenyl)azo)-?
The molecular formula of Malononitrile, ((4-chloro-2-nitrophenyl)azo)- is C9H4ClN5O2.
What is the molecular weight of Malononitrile, ((4-chloro-2-nitrophenyl)azo)-?
The molecular weight of Malononitrile, ((4-chloro-2-nitrophenyl)azo)- is 249.01 g/mol.
Where can I buy Malononitrile, ((4-chloro-2-nitrophenyl)azo)-?
You can request a quote for Malononitrile, ((4-chloro-2-nitrophenyl)azo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, ((4-chloro-2-nitrophenyl)azo)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, ((4-chloro-2-nitrophenyl)azo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.