1,2-Dichloro-3-isocyanatobenzene
TL;DR: 1,2-Dichloro-3-isocyanatobenzene (CAS 41195-90-8) is a chemical compound with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-3-isocyanatobenzene
Also Known As: 2,3-Dichlorophenyl isocyanate, 1,2-Dichloro-3-isocyanatobenzene, null, 2,3-Dichlorophenylisocyanate, dichlorophenyl isocyanate
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 41195-90-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)N=C=O |
| InChIKey | FYWJWWMKCARWQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-3-isocyanatobenzene (CAS 41195-90-8), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 1,2-dichloro-3-isocyanatobenzene.
Chemical Property Profile of 1,2-Dichloro-3-isocyanatobenzene
Property Insights of 1,2-Dichloro-3-isocyanatobenzene
The XLogP value of 4.0 indicates that 1,2-Dichloro-3-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 1,2-Dichloro-3-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-3-isocyanatobenzene has 0 hydrogen bond donor(s) and 2 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-3-isocyanatobenzene?
The CAS number of 1,2-Dichloro-3-isocyanatobenzene is 41195-90-8.
What is the molecular formula of 1,2-Dichloro-3-isocyanatobenzene?
The molecular formula of 1,2-Dichloro-3-isocyanatobenzene is C7H3Cl2NO.
What is the molecular weight of 1,2-Dichloro-3-isocyanatobenzene?
The molecular weight of 1,2-Dichloro-3-isocyanatobenzene is 186.96 g/mol.
Where can I buy 1,2-Dichloro-3-isocyanatobenzene?
You can request a quote for 1,2-Dichloro-3-isocyanatobenzene 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-3-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-3-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.