Barban
TL;DR: Barban (CAS 101-27-9) is a chemical compound with molecular formula C11H9Cl2NO2 and molecular weight 257.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: BARBAN, Barbamate, Barbane, Carbyne, Chlorinat
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9Cl2NO2 |
| Molecular Weight | 257.00104 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00104 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| Melting Point | 75-76 °C |
| Boiling Point | Degrades before boiling |
| Density | 1.403 g/cu cm at 25 °C |
| Flash Point | 122 °F (Closed cup) |
| Vapor Pressure | 0.00000038 [mmHg] |
| Solubility | At 25 °C g/100 g solvent: benzene 32.7 g; n-butylbenzene 11.3 g; n-dodecane less than 0.1 g; n-hexane 0.14 g; isopropylbenzene less than 7.0 g; kerosene 0.39 g; toluene 25.7 g; 2,2,4-trimethylpentane more than 0.3 g; xylene 27.9 g; water 0.0011 g |
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl |
| InChIKey | MCOQHIWZJUDQIC-UHFFFAOYSA-N |
Product Description
Applications: Barban is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barban (CAS 101-27-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Barban (CAS 101-27-9) is a heterocyclic building block with the molecular formula C11H9Cl2NO2 and a molecular weight of 257 g/mol. Key physical properties include a density of 1.403 g/cu cm at 25 °C g/cm³, a solubility: At 25 °C g/100 g solvent: benzene 32.7 g; n-butylbenzene 11.3 g; n-dodecane less than 0.1 g; n-hexane 0.14 g; isopropylbenzene less than 7.0 g; kerosene 0.39 g; toluene 25.7 g; 2,2,4-trimethylpentane more than 0.3 g; xylene 27.9 g; water 0.0011 g. It is also known as BARBAN and Barbamate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Barban
Property Insights of Barban
The XLogP value of 3.2 indicates that Barban is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Barban exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barban has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Barban?
The CAS number of Barban is 101-27-9.
What is the molecular formula of Barban?
The molecular formula of Barban is C11H9Cl2NO2.
What is the molecular weight of Barban?
The molecular weight of Barban is 257.00104 g/mol.
What are the applications of Barban?
Barban is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barban (CAS 101-27-9) with...
Where can I buy Barban?
You can request a quote for Barban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barban?
Yes, CoreyChem provides custom synthesis services for Barban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.