Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-
TL;DR: Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- (CAS 120812-51-3) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene
Also Known As: 1,6-Dinitro-H4-benzo(e)pyrene, Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-, 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene, 1,6-Dinitro-9,10,11,12-tetrahydrobenzo(e)pyrene, 9,10,11,12-Tetrahydro-1,6-dinitrobenzo(e)pyrene
Technical Specifications
| Molecular Formula | C20H14N2O4 |
| Molecular Weight | 346.09537 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.09537 Da |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
| SMILES | C1CCC2=C(C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=C(C=C5)[N+](=O)[O-] |
| InChIKey | QRIUZXYUEZGXBP-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-
Property Insights of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-
The XLogP value of 6.1 indicates that Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-. Following Lipinski's Rule of Five, Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-?
The CAS number of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- is 120812-51-3.
What is the molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-?
The molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- is C20H14N2O4.
What is the molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-?
The molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- is 346.09537 g/mol.
Where can I buy Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-?
You can request a quote for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-?
Yes, CoreyChem provides custom synthesis services for Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.