Benzonitrile, 4-bromo-
TL;DR: Benzonitrile, 4-bromo- (CAS 623-00-7) is a chemical compound with molecular formula C7H4BrN and molecular weight 180.95271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromobenzonitrile
Also Known As: 4-BROMOBENZONITRILE, p-Bromobenzonitrile, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrN |
| Molecular Weight | 180.95271 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.95271 Da |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
| SMILES | C1=CC(=CC=C1C#N)Br |
| InChIKey | HQSCPPCMBMFJJN-UHFFFAOYSA-N |
Product Description
Applications: Benzonitrile, 4-bromo- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzonitrile, 4-bromo- (CAS 623-00-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzonitrile, 4-bromo- (CAS 623-00-7) is a heterocyclic building block with the molecular formula C7H4BrN and a molecular weight of 180.95 g/mol. It is also known as 4-BROMOBENZONITRILE and p-Bromobenzonitrile.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzonitrile, 4-bromo-
Property Insights of Benzonitrile, 4-bromo-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-bromo-. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-bromo- 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 Benzonitrile, 4-bromo-?
The CAS number of Benzonitrile, 4-bromo- is 623-00-7.
What is the molecular formula of Benzonitrile, 4-bromo-?
The molecular formula of Benzonitrile, 4-bromo- is C7H4BrN.
What is the molecular weight of Benzonitrile, 4-bromo-?
The molecular weight of Benzonitrile, 4-bromo- is 180.95271 g/mol.
What are the applications of Benzonitrile, 4-bromo-?
Benzonitrile, 4-bromo- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzonitrile, 4-bromo- (CAS...
Where can I buy Benzonitrile, 4-bromo-?
You can request a quote for Benzonitrile, 4-bromo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-bromo-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.