2,4-Dichloro-1-(1-isocyanoethyl)benzene
TL;DR: 2,4-Dichloro-1-(1-isocyanoethyl)benzene (CAS 1040747-84-9) is a chemical compound with molecular formula C9H7Cl2N and molecular weight 198.99556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-1-(1-isocyanoethyl)benzene
Also Known As: 2,4-dichloro-1-(1-isocyanoethyl)benzene
Technical Specifications
| Molecular Formula | C9H7Cl2N |
| Molecular Weight | 198.99556 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.99556 Da |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
| SMILES | CC(C1=C(C=C(C=C1)Cl)Cl)[N+]#[C-] |
| InChIKey | BLTYYKHUXYZBHC-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dichloro-1-(1-isocyanoethyl)benzene
Property Insights of 2,4-Dichloro-1-(1-isocyanoethyl)benzene
The XLogP value of 3.2 indicates that 2,4-Dichloro-1-(1-isocyanoethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 2,4-Dichloro-1-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-1-(1-isocyanoethyl)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dichloro-1-(1-isocyanoethyl)benzene?
The CAS number of 2,4-Dichloro-1-(1-isocyanoethyl)benzene is 1040747-84-9.
What is the molecular formula of 2,4-Dichloro-1-(1-isocyanoethyl)benzene?
The molecular formula of 2,4-Dichloro-1-(1-isocyanoethyl)benzene is C9H7Cl2N.
What is the molecular weight of 2,4-Dichloro-1-(1-isocyanoethyl)benzene?
The molecular weight of 2,4-Dichloro-1-(1-isocyanoethyl)benzene is 198.99556 g/mol.
Where can I buy 2,4-Dichloro-1-(1-isocyanoethyl)benzene?
You can request a quote for 2,4-Dichloro-1-(1-isocyanoethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dichloro-1-(1-isocyanoethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2,4-Dichloro-1-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.