溴苯腈
TL;DR: 溴苯腈 (CAS 1689-84-5) is a chemical compound with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴苯腈
3,5-dibromo-4-hydroxybenzonitrile
Also Known As: 3,5-Dibromo-4-hydroxybenzonitrile, Brominal, Brominil, Broxynil, Sabre
| Molecular Formula | C7H3Br2NO |
|---|---|
| Molecular Weight | 274.86 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.85608 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| Melting Point | MP: 194-195 °C (sublimes at 135 °C/0.15 mm Hg) |
| Solubility | IN WATER 130 PPM (0.013%) WT/VOL @ 20-25 °C; IN ETHANOL 7% WT/VOL @ 20-25 °C; IN LIGHT PETROLEUM & XYLENE 1-2% WT/VOL @ 20-25 °C |
| Vapor Pressure | 0.00000005 [mmHg] |
Chemical Identifiers
| CAS Number | 1689-84-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)C#N |
| InChIKey | UPMXNNIRAGDFEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴苯腈 (CAS 1689-84-5), with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol. IUPAC: 3,5-dibromo-4-hydroxybenzonitrile.
Chemical Property Profile of 溴苯腈
Property Insights of 溴苯腈
The XLogP value of 3.5 indicates that 溴苯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 溴苯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴苯腈 has 1 hydrogen bond donor(s) and 2 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 溴苯腈?
The CAS number of 溴苯腈 is 1689-84-5.
What is the molecular formula of 溴苯腈?
The molecular formula of 溴苯腈 is C7H3Br2NO.
What is the molecular weight of 溴苯腈?
The molecular weight of 溴苯腈 is 274.86 g/mol.
Where can I buy 溴苯腈?
You can request a quote for 溴苯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴苯腈?
Yes, KEHONG BIO provides custom synthesis services for 溴苯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.