1,2-Dichloro-4-(isocyanomethyl)benzene
TL;DR: 1,2-Dichloro-4-(isocyanomethyl)benzene (CAS 1197-36-0) is a chemical compound with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(isocyanomethyl)benzene
Also Known As: 1,2-dichloro-4-(isocyanomethyl)benzene, 3,4-Dichlorobenzylisocyanide, HANSA ISN-0732, 3,4-DICHLOROBENZYL ISOCYANIDE
| Molecular Formula | C8H5Cl2N |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 3.41269 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.9799 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 1197-36-0 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC(=C(C=C1)Cl)Cl |
Product Overview
1,2-Dichloro-4-(isocyanomethyl)benzene (CAS 1197-36-0), with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol. IUPAC: 1,2-dichloro-4-(isocyanomethyl)benzene.
Chemical Property Profile of 1,2-Dichloro-4-(isocyanomethyl)benzene
Property Insights of 1,2-Dichloro-4-(isocyanomethyl)benzene
The XLogP value of 3.41269 indicates that 1,2-Dichloro-4-(isocyanomethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1,2-Dichloro-4-(isocyanomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-(isocyanomethyl)benzene has 0 hydrogen bond donor(s) and 0 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 1,2-Dichloro-4-(isocyanomethyl)benzene?
The CAS number of 1,2-Dichloro-4-(isocyanomethyl)benzene is 1197-36-0.
What is the molecular formula of 1,2-Dichloro-4-(isocyanomethyl)benzene?
The molecular formula of 1,2-Dichloro-4-(isocyanomethyl)benzene is C8H5Cl2N.
What is the molecular weight of 1,2-Dichloro-4-(isocyanomethyl)benzene?
The molecular weight of 1,2-Dichloro-4-(isocyanomethyl)benzene is 184.98 g/mol.
Where can I buy 1,2-Dichloro-4-(isocyanomethyl)benzene?
You can request a quote for 1,2-Dichloro-4-(isocyanomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-(isocyanomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-(isocyanomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.