1-Chloropropane
TL;DR: 1-Chloropropane (CAS 540-54-5) is a chemical compound with molecular formula C3H7Cl and molecular weight 78.02363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloropropane
Also Known As: 1-CHLOROPROPANE, Propyl chloride, N-Propyl chloride, Propane, 1-chloro-, Chloropropane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H7Cl |
| Molecular Weight | 78.02363 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 78.02363 Da |
| Heavy Atoms | 4 |
| Complexity | 7.0 |
| Melting Point | -189 °F (USCG, 1999) |
| Boiling Point | 115 to 117 °F at 760 mmHg (USCG, 1999) |
| Density | 0.892 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 0 °F (USCG, 1999) |
| Vapor Pressure | 345.0 [mmHg] |
| Refractive Index | Index of refraction: 1.3879 at 20 °C/D |
| Solubility | In water, 2720 mg/L at 25 °C |
| SMILES | CCCCl |
| InChIKey | SNMVRZFUUCLYTO-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloropropane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. 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).
1-Chloropropane is a heterocyclic building block identified by CAS number 540-54-5 and the molecular formula C3H7Cl and a molecular weight of 78.02 g/mol. Physically, the compound has a density of 0.892 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: In water, 2720 mg/L at 25 °C. Synonyms include 1-CHLOROPROPANE and Propyl 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 1-Chloropropane
Property Insights of 1-Chloropropane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloropropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloropropane 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 1-Chloropropane?
The CAS number of 1-Chloropropane is 540-54-5.
What is the molecular formula of 1-Chloropropane?
The molecular formula of 1-Chloropropane is C3H7Cl.
What is the molecular weight of 1-Chloropropane?
The molecular weight of 1-Chloropropane is 78.02363 g/mol.
What are the applications of 1-Chloropropane?
1-Chloropropane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 1-Chloropropane?
You can request a quote for 1-Chloropropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloropropane?
Yes, CoreyChem provides custom synthesis services for 1-Chloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.