1,1-Dichloropropane
TL;DR: 1,1-Dichloropropane (CAS 78-99-9) is a chemical compound with molecular formula C3H6Cl2 and molecular weight 111.98466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dichloropropane
Also Known As: 1,1-DICHLOROPROPANE, Propylidene chloride, DICHLOROPROPANE, Dichlorpropan, Propane, 1,1-dichloro-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6Cl2 |
| Molecular Weight | 111.98466 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.98466 Da |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
| Boiling Point | 190.6 °F at 760 mmHg (USCG, 1999) |
| Density | 1.1321 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 70 °F (est.) (USCG, 1999) |
| Vapor Pressure | 68.3 [mmHg] |
| Refractive Index | Index of refraction: 1.4289 at 20 °C/D |
| Solubility | In water, 2,700 mg/L at 20 °C |
| SMILES | CCC(Cl)Cl |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
Product Description
Applications: 1,1-Dichloropropane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A polymer intermediate supplied by CoreyChem, 1,1-Dichloropropane (CAS 78-99-9) has the molecular formula C3H6Cl2 and a molecular weight of 111.98 g/mol. Reported properties include a density of 1.1321 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: In water, 2,700 mg/L at 20 °C. Synonyms include 1,1-DICHLOROPROPANE and Propylidene 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 1,1-Dichloropropane
Property Insights of 1,1-Dichloropropane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloropropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dichloropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloropropane 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 1,1-Dichloropropane?
The CAS number of 1,1-Dichloropropane is 78-99-9.
What is the molecular formula of 1,1-Dichloropropane?
The molecular formula of 1,1-Dichloropropane is C3H6Cl2.
What is the molecular weight of 1,1-Dichloropropane?
The molecular weight of 1,1-Dichloropropane is 111.98466 g/mol.
What are the applications of 1,1-Dichloropropane?
1,1-Dichloropropane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,1-Dichloropropane?
You can request a quote for 1,1-Dichloropropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dichloropropane?
Yes, CoreyChem provides custom synthesis services for 1,1-Dichloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.