三氯硝基甲烷
TL;DR: 三氯硝基甲烷 (CAS 76-06-2) is a chemical compound with molecular formula CCl3NO2 and molecular weight 162.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯硝基甲烷
trichloro(nitro)methane
Also Known As: CHLOROPICRIN, Trichloronitromethane, Nitrochloroform, Chlorpikrin, Acquinite
| Molecular Formula | CCl3NO2 |
|---|---|
| Molecular Weight | 162.90 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.89946 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | -69.2 °C |
| Boiling Point | 112.2 °C at 760 mmHg |
| Density | 1.64 at 25.0 °C |
| Solubility | 1 to 5 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 16.9 mmHg at 20.0 °C ; 40 mmHg at 33.8 °C |
| Refractive Index | 1.4611 at 20 °C; 1.4596 at 25 °C |
Chemical Identifiers
| CAS Number | 76-06-2 |
|---|---|
| SMILES | C([N+](=O)[O-])(Cl)(Cl)Cl |
| InChIKey | LFHISGNCFUNFFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯硝基甲烷 (CAS 76-06-2), with molecular formula CCl3NO2 and molecular weight 162.90 g/mol. IUPAC: trichloro(nitro)methane.
Chemical Property Profile of 三氯硝基甲烷
Property Insights of 三氯硝基甲烷
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯硝基甲烷. With a topological polar surface area (TPSA) of 45.8 Ų, 三氯硝基甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯硝基甲烷 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
Frequently Asked Questions
What is the CAS number of 三氯硝基甲烷?
The CAS number of 三氯硝基甲烷 is 76-06-2.
What is the molecular formula of 三氯硝基甲烷?
The molecular formula of 三氯硝基甲烷 is CCl3NO2.
What is the molecular weight of 三氯硝基甲烷?
The molecular weight of 三氯硝基甲烷 is 162.90 g/mol.
Where can I buy 三氯硝基甲烷?
You can request a quote for 三氯硝基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯硝基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 三氯硝基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.