2-Chloro-1-propene
TL;DR: 2-Chloro-1-propene (CAS 557-98-2) is a chemical compound with molecular formula C3H5Cl and molecular weight 76.00798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroprop-1-ene
Also Known As: 2-Chloropropene, Isopropenyl chloride, 2-chloroprop-1-ene, 2-Chloropropylene, 2-CHLORO-1-PROPENE
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5Cl |
| Molecular Weight | 76.00798 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.00798 Da |
| Heavy Atoms | 4 |
| Complexity | 30.0 |
| Melting Point | -137.4 °C |
| Boiling Point | 22.6 °C @ 760 MM HG |
| Density | 0.9017 @ 20 °C/4 °C |
| Flash Point | less than 4 °F (NFPA, 2010) |
| Vapor Pressure | 819.0 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.3973 @ 20 °C/D |
| Solubility | INSOL IN WATER; SOL IN ETHER, ACETONE, BENZENE, CHLOROFORM |
| SMILES | CC(=C)Cl |
| InChIKey | PNLQPWWBHXMFCA-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloro-1-propene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Chloro-1-propene is a heterocyclic building block identified by CAS number 557-98-2 and the molecular formula C3H5Cl and a molecular weight of 76.01 g/mol. Physically, the compound has a density of 0.9017 @ 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER; SOL IN ETHER, ACETONE, BENZENE, CHLOROFORM. Synonyms include 2-Chloropropene and Isopropenyl chloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Chloro-1-propene
Property Insights of 2-Chloro-1-propene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-propene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-propene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-propene?
The CAS number of 2-Chloro-1-propene is 557-98-2.
What is the molecular formula of 2-Chloro-1-propene?
The molecular formula of 2-Chloro-1-propene is C3H5Cl.
What is the molecular weight of 2-Chloro-1-propene?
The molecular weight of 2-Chloro-1-propene is 76.00798 g/mol.
What are the applications of 2-Chloro-1-propene?
2-Chloro-1-propene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Chloro-1-propene?
You can request a quote for 2-Chloro-1-propene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-propene?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.