6-Bromohexanenitrile
TL;DR: 6-Bromohexanenitrile (CAS 6621-59-6) is a chemical compound with molecular formula C6H10BrN and molecular weight 174.99966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromohexanenitrile
Also Known As: 6-Bromohexanenitrile, 6-Bromohexanonitrile, 6-Bromocapronitrile, Hexanenitrile, 6-bromo-, 5-Bromopentyl cyanide
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10BrN |
| Molecular Weight | 174.99966 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.99966 Da |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
| SMILES | C(CCC#N)CCBr |
| InChIKey | PHOSWLARCIBBJZ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Bromohexanenitrile
Property Insights of 6-Bromohexanenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromohexanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 6-Bromohexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromohexanenitrile 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
What is the CAS number of 6-Bromohexanenitrile?
The CAS number of 6-Bromohexanenitrile is 6621-59-6.
What is the molecular formula of 6-Bromohexanenitrile?
The molecular formula of 6-Bromohexanenitrile is C6H10BrN.
What is the molecular weight of 6-Bromohexanenitrile?
The molecular weight of 6-Bromohexanenitrile is 174.99966 g/mol.
Where can I buy 6-Bromohexanenitrile?
You can request a quote for 6-Bromohexanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromohexanenitrile?
Yes, CoreyChem provides custom synthesis services for 6-Bromohexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.