1,1-Dichloropropane
TL;DR: 1,1-Dichloropropane (CAS 78-99-9) is a chemical compound with molecular formula C3H6Cl2 and molecular weight 111.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloropropane
Also Known As: 1,1-DICHLOROPROPANE, Propylidene chloride, DICHLOROPROPANE, Dichlorpropan, Propane, 1,1-dichloro-
| Molecular Formula | C3H6Cl2 |
|---|---|
| Molecular Weight | 111.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.98466 |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
| Boiling Point | 88.1 °C at 760 mmHg |
| Density | 1.1321 at 20.0 °C |
| Solubility | In water, 2,700 mg/L at 20 °C |
| Flash Point | 21.1 °C (est.) |
| Vapor Pressure | 68.3 [mmHg] |
| Refractive Index | 1.4289 at 20 °C |
Chemical Identifiers
| CAS Number | 78-99-9 |
|---|---|
| SMILES | CCC(Cl)Cl |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloropropane (CAS 78-99-9), with molecular formula C3H6Cl2 and molecular weight 111.98 g/mol. IUPAC: 1,1-dichloropropane.
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
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 111.98 g/mol.
Where can I buy 1,1-Dichloropropane?
You can request a quote for 1,1-Dichloropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.