Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine
TL;DR: Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine (CAS 73747-65-6) is a chemical compound with molecular formula C22H31ClN3O2P and molecular weight 435.18423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrile;tributylphosphane
Also Known As: Tributylphosphine 4-chloro-3-nitrobenzylidenemalononitrile adduct, MALONONITRILE, 4-CHLORO-3-NITROBENZYLIDENE-, compd. with TRIBUTYLPHOSPHINE, 2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrile; tributylphosphane, [(4-Chloro-3-nitrophenyl)methylidene]propanedinitrile--tributylphosphane (1/1), Propanedinitrile, [(4-chloro-3-nitrophenyl)methylene]-, compd. with tributylphosphine (1:1)
Technical Specifications
| Molecular Formula | C22H31ClN3O2P |
| Molecular Weight | 435.18423 g/mol |
| XLogP | 7.55 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.18423 Da |
| Heavy Atoms | 29 |
| Complexity | 463.0 |
| SMILES | CCCCP(CCCC)CCCC.C1=CC(=C(C=C1C=C(C#N)C#N)[N+](=O)[O-])Cl |
| InChIKey | UGISOXYFXUWGSJ-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine
Property Insights of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine
The XLogP value of 7.55 indicates that Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine. Following Lipinski's Rule of Five, Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine?
The CAS number of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine is 73747-65-6.
What is the molecular formula of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine?
The molecular formula of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine is C22H31ClN3O2P.
What is the molecular weight of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine?
The molecular weight of Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine is 435.18423 g/mol.
Where can I buy Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine?
You can request a quote for Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine?
Yes, CoreyChem provides custom synthesis services for Malononitrile, 4-chloro-3-nitrobenzylidene-, compd. with tributylphosphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.