氯乙腈
TL;DR: 氯乙腈 (CAS 107-14-2) is a chemical compound with molecular formula C2H2ClN and molecular weight 74.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙腈
2-chloroacetonitrile
Also Known As: CHLOROACETONITRILE, 2-Chloroacetonitrile, Chloracetonitrile, Acetonitrile, chloro-, Chloromethyl cyanide
| Molecular Formula | C2H2ClN |
|---|---|
| Molecular Weight | 74.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 74.98758 |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Boiling Point | 259 to 127.2 °C at 760 mmHg |
| Density | 1.2020 to 1.2035 at 25.0 °C |
| Solubility | 50 to 100 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 47.8 °C |
| Vapor Pressure | 8.7 [mmHg] |
| Refractive Index | 1.4210-1.4240 at 25 °C. |
Chemical Identifiers
| CAS Number | 107-14-2 |
|---|---|
| SMILES | C(C#N)Cl |
| InChIKey | RENMDAKOXSCIGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯乙腈 (CAS 107-14-2), with molecular formula C2H2ClN and molecular weight 74.99 g/mol. IUPAC: 2-chloroacetonitrile.
Chemical Property Profile of 氯乙腈
Property Insights of 氯乙腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 氯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙腈 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 氯乙腈?
The CAS number of 氯乙腈 is 107-14-2.
What is the molecular formula of 氯乙腈?
The molecular formula of 氯乙腈 is C2H2ClN.
What is the molecular weight of 氯乙腈?
The molecular weight of 氯乙腈 is 74.99 g/mol.
Where can I buy 氯乙腈?
You can request a quote for 氯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 氯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.