Dibromochloroacetonitrile
TL;DR: Dibromochloroacetonitrile (CAS 144772-39-4) is a chemical compound with molecular formula C2Br2ClN and molecular weight 230.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-2-chloroacetonitrile
Also Known As: Dibromochloroacetonitrile, 2,2-dibromo-2-chloroacetonitrile, Acetonitrile, dibromochloro-, dibromo(chloro)acetonitrile, Acetonitrile,2,2-dibromo-2-chloro-
| Molecular Formula | C2Br2ClN |
|---|---|
| Molecular Weight | 230.81 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.8086 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 144772-39-4 |
|---|---|
| SMILES | C(#N)C(Cl)(Br)Br |
| InChIKey | RARYQRXQKOVEPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromochloroacetonitrile (CAS 144772-39-4), with molecular formula C2Br2ClN and molecular weight 230.81 g/mol. IUPAC: 2,2-dibromo-2-chloroacetonitrile.
Chemical Property Profile of Dibromochloroacetonitrile
Property Insights of Dibromochloroacetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromochloroacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Dibromochloroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromochloroacetonitrile 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
Frequently Asked Questions
What is the CAS number of Dibromochloroacetonitrile?
The CAS number of Dibromochloroacetonitrile is 144772-39-4.
What is the molecular formula of Dibromochloroacetonitrile?
The molecular formula of Dibromochloroacetonitrile is C2Br2ClN.
What is the molecular weight of Dibromochloroacetonitrile?
The molecular weight of Dibromochloroacetonitrile is 230.81 g/mol.
Where can I buy Dibromochloroacetonitrile?
You can request a quote for Dibromochloroacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromochloroacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Dibromochloroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.