苦味酰氯
TL;DR: 苦味酰氯 (CAS 88-88-0) is a chemical compound with molecular formula C6H2ClN3O6 and molecular weight 246.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦味酰氯
2-chloro-1,3,5-trinitrobenzene
Also Known As: Picryl chloride, Picrylchloride, Tncb, 2,4,6-Trinitrochlorobenzene, Trinitrochlorobenzene
| Molecular Formula | C6H2ClN3O6 |
|---|---|
| Molecular Weight | 246.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.96321 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| Melting Point | 181 to 85.0 °C |
| Density | 1.797 at 20.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00000383 [mmHg] |
Chemical Identifiers
| CAS Number | 88-88-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苦味酰氯 (CAS 88-88-0), with molecular formula C6H2ClN3O6 and molecular weight 246.96 g/mol. IUPAC: 2-chloro-1,3,5-trinitrobenzene.
Chemical Property Profile of 苦味酰氯
Property Insights of 苦味酰氯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苦味酰氯. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苦味酰氯. Following Lipinski's Rule of Five, 苦味酰氯 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
Frequently Asked Questions
What is the CAS number of 苦味酰氯?
The CAS number of 苦味酰氯 is 88-88-0.
What is the molecular formula of 苦味酰氯?
The molecular formula of 苦味酰氯 is C6H2ClN3O6.
What is the molecular weight of 苦味酰氯?
The molecular weight of 苦味酰氯 is 246.96 g/mol.
Where can I buy 苦味酰氯?
You can request a quote for 苦味酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦味酰氯?
Yes, KEHONG BIO provides custom synthesis services for 苦味酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.