Bromodifluoroacetonitrile
TL;DR: Bromodifluoroacetonitrile (CAS 7601-99-2) is a chemical compound with molecular formula C2BrF2N and molecular weight 154.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2,2-difluoroacetonitrile
Also Known As: BROMODIFLUOROACETONITRILE, 2-bromo-2,2-difluoroacetonitrile, Bromdifluoracetonitril, C2BrF2N, Acetonitrile,2-bromo-2,2-difluoro-
| Molecular Formula | C2BrF2N |
|---|---|
| Molecular Weight | 154.92 g/mol |
| LogP | 1.49768 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.91821 |
| Heavy Atoms | 6 |
| Complexity | 78.52933 |
Chemical Identifiers
| CAS Number | 7601-99-2 |
|---|---|
| SMILES | C(#N)C(F)(F)Br |
Product Overview
Bromodifluoroacetonitrile (CAS 7601-99-2), with molecular formula C2BrF2N and molecular weight 154.92 g/mol. IUPAC: 2-bromo-2,2-difluoroacetonitrile.
Chemical Property Profile of Bromodifluoroacetonitrile
Property Insights of Bromodifluoroacetonitrile
The XLogP value of 1.49768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromodifluoroacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, Bromodifluoroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromodifluoroacetonitrile 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 Bromodifluoroacetonitrile?
The CAS number of Bromodifluoroacetonitrile is 7601-99-2.
What is the molecular formula of Bromodifluoroacetonitrile?
The molecular formula of Bromodifluoroacetonitrile is C2BrF2N.
What is the molecular weight of Bromodifluoroacetonitrile?
The molecular weight of Bromodifluoroacetonitrile is 154.92 g/mol.
Where can I buy Bromodifluoroacetonitrile?
You can request a quote for Bromodifluoroacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromodifluoroacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bromodifluoroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.