Α-溴氰化苄
TL;DR: Α-溴氰化苄 (CAS 5798-79-8) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-溴氰化苄
2-bromo-2-phenylacetonitrile
Also Known As: Bromobenzyl cyanide, 2-bromo-2-phenylacetonitrile, Camite, Brombenzyl cyanide, Bromo(phenyl)acetonitrile
| Molecular Formula | C8H6BrN |
|---|---|
| Molecular Weight | 194.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.96835 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
| Melting Point | 25.0 °C |
| Boiling Point | 242 °C @ 760 MM HG |
| Density | 1.539 @ 29 °C |
| Solubility | SLIGHTLY SOL IN WATER; FREELY SOL IN ALCOHOL, ETHER, ACETONE, CHLOROFORM, COMMON ORGANIC SOLVENTS; SOL IN PHOSGENE, CHLOROPICRIN, BENZYL CYANIDE |
| Vapor Pressure | 0.00465 [mmHg] |
Chemical Identifiers
| CAS Number | 5798-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)Br |
| InChIKey | XUHFBOUSHUEAQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-溴氰化苄 (CAS 5798-79-8), with molecular formula C8H6BrN and molecular weight 194.97 g/mol. IUPAC: 2-bromo-2-phenylacetonitrile.
Chemical Property Profile of Α-溴氰化苄
Property Insights of Α-溴氰化苄
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-溴氰化苄. With a topological polar surface area (TPSA) of 23.8 Ų, Α-溴氰化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-溴氰化苄 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 Α-溴氰化苄?
The CAS number of Α-溴氰化苄 is 5798-79-8.
What is the molecular formula of Α-溴氰化苄?
The molecular formula of Α-溴氰化苄 is C8H6BrN.
What is the molecular weight of Α-溴氰化苄?
The molecular weight of Α-溴氰化苄 is 194.97 g/mol.
Where can I buy Α-溴氰化苄?
You can request a quote for Α-溴氰化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-溴氰化苄?
Yes, KEHONG BIO provides custom synthesis services for Α-溴氰化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.