1,3-Dichloro-2-propanol
TL;DR: 1,3-Dichloro-2-propanol (CAS 96-23-1) is a chemical compound with molecular formula C3H6Cl2O and molecular weight 127.97957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloropropan-2-ol
Also Known As: 1,3-DICHLORO-2-PROPANOL, 1,3-Dichloropropan-2-ol, Dichlorohydrin, Enodrin, 1,3-Dichlorohydrin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6Cl2O |
| Molecular Weight | 127.97957 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.97957 Da |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| Melting Point | 25 °F (NTP, 1992) |
| Boiling Point | 345 °F at 760 mmHg (NTP, 1992) |
| Density | 1.3506 at 63 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 165 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 82.4 °F ; 5 mmHg at 126.0 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.480245 @ 17 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C(C(CCl)O)Cl |
| InChIKey | DEWLEGDTCGBNGU-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dichloro-2-propanol 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. CoreyChem supplies 1,3-Dichloro-2-propanol (CAS 96-23-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, 1,3-Dichloro-2-propanol (CAS 96-23-1) has the molecular formula C3H6Cl2O and a molecular weight of 127.98 g/mol. Reported properties include a density of 1.3506 at 63 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 73 °F (NTP, 1992). It is also known as 1,3-DICHLORO-2-PROPANOL and 1,3-Dichloropropan-2-ol.
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 1,3-Dichloro-2-propanol
Property Insights of 1,3-Dichloro-2-propanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-Dichloro-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-propanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dichloro-2-propanol?
The CAS number of 1,3-Dichloro-2-propanol is 96-23-1.
What is the molecular formula of 1,3-Dichloro-2-propanol?
The molecular formula of 1,3-Dichloro-2-propanol is C3H6Cl2O.
What is the molecular weight of 1,3-Dichloro-2-propanol?
The molecular weight of 1,3-Dichloro-2-propanol is 127.97957 g/mol.
What are the applications of 1,3-Dichloro-2-propanol?
1,3-Dichloro-2-propanol 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. CoreyChem supplies 1,3-Dichloro-2-propanol (CAS...
Where can I buy 1,3-Dichloro-2-propanol?
You can request a quote for 1,3-Dichloro-2-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dichloro-2-propanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Dichloro-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.