溴氯乙腈
TL;DR: 溴氯乙腈 (CAS 83463-62-1) is a chemical compound with molecular formula C2HBrClN and molecular weight 152.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴氯乙腈
2-bromo-2-chloroacetonitrile
Also Known As: Bromochloroacetonitrile, 2-bromo-2-chloroacetonitrile, Bromochloromethyl cyanide, C2HBrClN, ACETONITRILE, BROMOCHLORO-
| Molecular Formula | C2HBrClN |
|---|---|
| Molecular Weight | 152.90 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.89809 |
| Heavy Atoms | 5 |
| Complexity | 63.0 |
| Boiling Point | 138-140 °C |
| Density | 1.68 |
| Solubility | Slightly soluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 83463-62-1 |
|---|---|
| SMILES | C(#N)C(Cl)Br |
| InChIKey | BMWPPNAUMLRKML-UHFFFAOYSA-N |
Product Overview
溴氯乙腈 (CAS 83463-62-1), with molecular formula C2HBrClN and molecular weight 152.90 g/mol. IUPAC: 2-bromo-2-chloroacetonitrile.
Chemical Property Profile of 溴氯乙腈
Property Insights of 溴氯乙腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴氯乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 溴氯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴氯乙腈 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 溴氯乙腈?
The CAS number of 溴氯乙腈 is 83463-62-1.
What is the molecular formula of 溴氯乙腈?
The molecular formula of 溴氯乙腈 is C2HBrClN.
What is the molecular weight of 溴氯乙腈?
The molecular weight of 溴氯乙腈 is 152.90 g/mol.
Where can I buy 溴氯乙腈?
You can request a quote for 溴氯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴氯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 溴氯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.