2-氯丙烯腈
TL;DR: 2-氯丙烯腈 (CAS 920-37-6) is a chemical compound with molecular formula C3H2ClN and molecular weight 86.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯丙烯腈
2-chloroprop-2-enenitrile
Also Known As: 2-Chloroacrylonitrile, Chloroacrylonitrile, 2-chloroprop-2-enenitrile, 2-Propenenitrile, 2-chloro-, 2-Chloro-2-propenenitrile
| Molecular Formula | C3H2ClN |
|---|---|
| Molecular Weight | 86.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.98758 |
| Heavy Atoms | 5 |
| Complexity | 86.0 |
| Melting Point | -65.0 °C |
| Boiling Point | 190 to 88.9 °C at 760 mmHg |
| Flash Point | 6.7 °C |
Chemical Identifiers
| CAS Number | 920-37-6 |
|---|---|
| SMILES | C=C(C#N)Cl |
| InChIKey | OYUNTGBISCIYPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯丙烯腈 (CAS 920-37-6), with molecular formula C3H2ClN and molecular weight 86.99 g/mol. IUPAC: 2-chloroprop-2-enenitrile.
Chemical Property Profile of 2-氯丙烯腈
Property Insights of 2-氯丙烯腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯丙烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2-氯丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯丙烯腈 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 2-氯丙烯腈?
The CAS number of 2-氯丙烯腈 is 920-37-6.
What is the molecular formula of 2-氯丙烯腈?
The molecular formula of 2-氯丙烯腈 is C3H2ClN.
What is the molecular weight of 2-氯丙烯腈?
The molecular weight of 2-氯丙烯腈 is 86.99 g/mol.
Where can I buy 2-氯丙烯腈?
You can request a quote for 2-氯丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.