1,2,3-三氯丙烷
TL;DR: 1,2,3-三氯丙烷 (CAS 96-18-4) is a chemical compound with molecular formula C3H5Cl3 and molecular weight 145.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-三氯丙烷
1,2,3-trichloropropane
Also Known As: 1,2,3-TRICHLOROPROPANE, Trichlorohydrin, Allyl trichloride, Trichloropropane, Glycerol trichlorohydrin
| Molecular Formula | C3H5Cl3 |
|---|---|
| Molecular Weight | 145.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.94568 |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
| Melting Point | -14.7 °C |
| Boiling Point | 156.1 °C at 760 mmHg |
| Density | 1.3889 at 20.0 °C |
| Solubility | 1 to 5 mg/mL at 75 °F (NTP, 1992) |
| Flash Point | 82.2 °C |
| Vapor Pressure | 2 mmHg at 20.0 °C ; 4 mmHg at 30.0 °C |
| Refractive Index | = 1.4852 at 20 °C |
Chemical Identifiers
| CAS Number | 96-18-4 |
|---|---|
| SMILES | C(C(CCl)Cl)Cl |
| InChIKey | CFXQEHVMCRXUSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-三氯丙烷 (CAS 96-18-4), with molecular formula C3H5Cl3 and molecular weight 145.95 g/mol. IUPAC: 1,2,3-trichloropropane.
Chemical Property Profile of 1,2,3-三氯丙烷
Property Insights of 1,2,3-三氯丙烷
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-三氯丙烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-三氯丙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-三氯丙烷 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 1,2,3-三氯丙烷?
The CAS number of 1,2,3-三氯丙烷 is 96-18-4.
What is the molecular formula of 1,2,3-三氯丙烷?
The molecular formula of 1,2,3-三氯丙烷 is C3H5Cl3.
What is the molecular weight of 1,2,3-三氯丙烷?
The molecular weight of 1,2,3-三氯丙烷 is 145.95 g/mol.
Where can I buy 1,2,3-三氯丙烷?
You can request a quote for 1,2,3-三氯丙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-三氯丙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-三氯丙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.