1-氯-2-丙醇
TL;DR: 1-氯-2-丙醇 (CAS 127-00-4) is a chemical compound with molecular formula C3H7ClO and molecular weight 94.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯-2-丙醇
1-chloropropan-2-ol
Also Known As: 1-Chloro-2-propanol, 1-Chloropropan-2-ol, Propene chlorohydrin, Chloroisopropyl alcohol, Propylene chlorohydrin
| Molecular Formula | C3H7ClO |
|---|---|
| Molecular Weight | 94.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 94.01854 |
| Heavy Atoms | 5 |
| Complexity | 22.0 |
| Boiling Point | 259 to 127.2 °C at 760 mmHg |
| Density | 1.115 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 51.7 °C |
| Vapor Pressure | 4.9 mmHg at 20.0 °C |
| Refractive Index | 1.4392 @ 20 °C |
Chemical Identifiers
| CAS Number | 127-00-4 |
|---|---|
| SMILES | CC(CCl)O |
| InChIKey | YYTSGNJTASLUOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯-2-丙醇 (CAS 127-00-4), with molecular formula C3H7ClO and molecular weight 94.02 g/mol. IUPAC: 1-chloropropan-2-ol.
Chemical Property Profile of 1-氯-2-丙醇
Property Insights of 1-氯-2-丙醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯-2-丙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 1-氯-2-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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-氯-2-丙醇?
The CAS number of 1-氯-2-丙醇 is 127-00-4.
What is the molecular formula of 1-氯-2-丙醇?
The molecular formula of 1-氯-2-丙醇 is C3H7ClO.
What is the molecular weight of 1-氯-2-丙醇?
The molecular weight of 1-氯-2-丙醇 is 94.02 g/mol.
Where can I buy 1-氯-2-丙醇?
You can request a quote for 1-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-氯-2-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 1-氯-2-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.