二溴乙腈
TL;DR: 二溴乙腈 (CAS 3252-43-5) is a chemical compound with molecular formula C2HBr2N and molecular weight 196.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二溴乙腈
2,2-dibromoacetonitrile
Also Known As: DIBROMOACETONITRILE, 2,2-dibromoacetonitrile, Acetonitrile, dibromo-, Dibrom-acetonitril, DBAN
| Molecular Formula | C2HBr2N |
|---|---|
| Molecular Weight | 196.85 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.84552 |
| Heavy Atoms | 5 |
| Complexity | 59.0 |
| Boiling Point | 153 to 68.9 °C at 24 mmHg |
| Density | 2.296 |
| Solubility | 5 to 10 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 2 mmHg at 50.0 °C ; 15 mmHg at 70.0 °C; 48 mmHg at 95.0 °C |
| Refractive Index | = 1.5393 at 20 °C |
Chemical Identifiers
| CAS Number | 3252-43-5 |
|---|---|
| SMILES | C(#N)C(Br)Br |
| InChIKey | NDSBDLSWTGLNQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二溴乙腈 (CAS 3252-43-5), with molecular formula C2HBr2N and molecular weight 196.85 g/mol. IUPAC: 2,2-dibromoacetonitrile.
Chemical Property Profile of 二溴乙腈
Property Insights of 二溴乙腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二溴乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 二溴乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二溴乙腈 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 二溴乙腈?
The CAS number of 二溴乙腈 is 3252-43-5.
What is the molecular formula of 二溴乙腈?
The molecular formula of 二溴乙腈 is C2HBr2N.
What is the molecular weight of 二溴乙腈?
The molecular weight of 二溴乙腈 is 196.85 g/mol.
Where can I buy 二溴乙腈?
You can request a quote for 二溴乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二溴乙腈?
Yes, KEHONG BIO provides custom synthesis services for 二溴乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.