Chloropicrin
TL;DR: Chloropicrin (CAS 76-06-2) is a chemical compound with molecular formula CCl3NO2 and molecular weight 162.89946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trichloro(nitro)methane
Also Known As: CHLOROPICRIN, Trichloronitromethane, Nitrochloroform, Chlorpikrin, Acquinite
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CCl3NO2 |
| Molecular Weight | 162.89946 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.89946 Da |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | -92.6 °F (NTP, 1992) |
| Boiling Point | 234 °F at 760 mmHg (NTP, 1992) |
| Density | 1.64 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 16.9 mmHg at 68 °F ; 40 mmHg at 92.8 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4611 at 20 °C/D; 1.4596 at 25 °C/D |
| Solubility | 1 to 5 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C([N+](=O)[O-])(Cl)(Cl)Cl |
| InChIKey | LFHISGNCFUNFFM-UHFFFAOYSA-N |
Product Description
Applications: Chloropicrin is used in agrochemical development, including crop protection agent 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 Chloropicrin (CAS 76-06-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, Chloropicrin (CAS 76-06-2) has the molecular formula CCl3NO2 and a molecular weight of 162.9 g/mol. Reported properties include a density of 1.64 at 77 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 1 to 5 mg/mL at 72 °F (NTP, 1992). It is also known as CHLOROPICRIN and Trichloronitromethane.
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 Chloropicrin
Property Insights of Chloropicrin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloropicrin. With a topological polar surface area (TPSA) of 45.8 Ų, Chloropicrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloropicrin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chloropicrin?
The CAS number of Chloropicrin is 76-06-2.
What is the molecular formula of Chloropicrin?
The molecular formula of Chloropicrin is CCl3NO2.
What is the molecular weight of Chloropicrin?
The molecular weight of Chloropicrin is 162.89946 g/mol.
What are the applications of Chloropicrin?
Chloropicrin is used in agrochemical development, including crop protection agent 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 Chloropicrin (CAS...
Where can I buy Chloropicrin?
You can request a quote for Chloropicrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloropicrin?
Yes, CoreyChem provides custom synthesis services for Chloropicrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.