1,3-二氯-2-丙醇
TL;DR: 1,3-二氯-2-丙醇 (CAS 96-23-1) is a chemical compound with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氯-2-丙醇
1,3-dichloropropan-2-ol
Also Known As: 1,3-DICHLORO-2-PROPANOL, 1,3-Dichloropropan-2-ol, Dichlorohydrin, Enodrin, 1,3-Dichlorohydrin
| Molecular Formula | C3H6Cl2O |
|---|---|
| Molecular Weight | 127.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.97957 |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| Melting Point | -3.9 °C |
| Boiling Point | 173.9 °C at 760 mmHg |
| Density | 1.3506 at 17.2 °C |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 73.9 °C |
| Vapor Pressure | 1 mmHg at 28.0 °C ; 5 mmHg at 52.2 °C |
| Refractive Index | 1.480245 @ 17 °C |
Chemical Identifiers
| CAS Number | 96-23-1 |
|---|---|
| SMILES | C(C(CCl)O)Cl |
| InChIKey | DEWLEGDTCGBNGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氯-2-丙醇 (CAS 96-23-1), with molecular formula C3H6Cl2O and molecular weight 127.98 g/mol. IUPAC: 1,3-dichloropropan-2-ol.
Chemical Property Profile of 1,3-二氯-2-丙醇
Property Insights of 1,3-二氯-2-丙醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二氯-2-丙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-二氯-2-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二氯-2-丙醇 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
Frequently Asked Questions
What is the CAS number of 1,3-二氯-2-丙醇?
The CAS number of 1,3-二氯-2-丙醇 is 96-23-1.
What is the molecular formula of 1,3-二氯-2-丙醇?
The molecular formula of 1,3-二氯-2-丙醇 is C3H6Cl2O.
What is the molecular weight of 1,3-二氯-2-丙醇?
The molecular weight of 1,3-二氯-2-丙醇 is 127.98 g/mol.
Where can I buy 1,3-二氯-2-丙醇?
You can request a quote for 1,3-二氯-2-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氯-2-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氯-2-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.