Picryl Chloride
TL;DR: Picryl Chloride (CAS 88-88-0) is a chemical compound with molecular formula C6H2ClN3O6 and molecular weight 246.96321 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
苦基氯
2-chloro-1,3,5-trinitrobenzene
Also Known As: Picryl chloride, Picrylchloride, Tncb, 2,4,6-Trinitrochlorobenzene, Trinitrochlorobenzene
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H2ClN3O6 |
| Molecular Weight | 246.96321 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.96321 Da |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| Melting Point | 181 to 185 °F (NTP, 1992) |
| Density | 1.797 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00000383 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
Product Description
Applications: Picryl Chloride is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Picryl Chloride (CAS 88-88-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Picryl Chloride (CAS 88-88-0) has the molecular formula C6H2ClN3O6 and a molecular weight of 246.96 g/mol. Reported properties include a density of 1.797 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as Picryl chloride and Picrylchloride.
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 Picryl Chloride
Property Insights of Picryl Chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picryl Chloride. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Picryl Chloride. Following Lipinski's Rule of Five, Picryl Chloride has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Picryl Chloride?
The CAS number of Picryl Chloride is 88-88-0.
What is the molecular formula of Picryl Chloride?
The molecular formula of Picryl Chloride is C6H2ClN3O6.
What is the molecular weight of Picryl Chloride?
The molecular weight of Picryl Chloride is 246.96321 g/mol.
What are the applications of Picryl Chloride?
Picryl Chloride is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Picryl Chloride (CAS 88-88-0) with...
Where can I buy Picryl Chloride?
You can request a quote for Picryl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Picryl Chloride?
Yes, CoreyChem provides custom synthesis services for Picryl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.