Chloroacetonitrile
TL;DR: Chloroacetonitrile (CAS 107-14-2) is a chemical compound with molecular formula C2H2ClN and molecular weight 74.98758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroacetonitrile
Also Known As: CHLOROACETONITRILE, 2-Chloroacetonitrile, Chloracetonitrile, Acetonitrile, chloro-, Chloromethyl cyanide
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H2ClN |
| Molecular Weight | 74.98758 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 74.98758 Da |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Boiling Point | 259 to 261 °F at 760 mmHg (NTP, 1992) |
| Density | 1.2020 to 1.2035 at 77 °F (NTP, 1992) |
| Flash Point | 118 °F (NTP, 1992) |
| Vapor Pressure | 8.7 [mmHg] |
| Refractive Index | Index of refraction: 1.4210-1.4240 at 25 °C. |
| Solubility | 50 to 100 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | C(C#N)Cl |
| InChIKey | RENMDAKOXSCIGH-UHFFFAOYSA-N |
Chemical Property Profile of Chloroacetonitrile
Property Insights of Chloroacetonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Chloroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetonitrile 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 Chloroacetonitrile?
The CAS number of Chloroacetonitrile is 107-14-2.
What is the molecular formula of Chloroacetonitrile?
The molecular formula of Chloroacetonitrile is C2H2ClN.
What is the molecular weight of Chloroacetonitrile?
The molecular weight of Chloroacetonitrile is 74.98758 g/mol.
Where can I buy Chloroacetonitrile?
You can request a quote for Chloroacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroacetonitrile?
Yes, CoreyChem provides custom synthesis services for Chloroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.