Benzene-D6
TL;DR: Benzene-D6 (CAS 1076-43-3) is a chemical compound with molecular formula C6H6 and molecular weight 84.08461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5,6-hexadeuteriobenzene
Also Known As: Benzene-d6, Perdeuterobenzene, Hexadeuterobenzene, Benzene D6, hexadeuteriobenzene
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6 |
| Molecular Weight | 84.08461 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.08461 Da |
| Heavy Atoms | 6 |
| Complexity | 15.0 |
| Appearance | liquid |
| Purity | ≥99% (CP) |
| Melting Point | 7 °C |
| Boiling Point | 79 °C @760 [mm Hg] |
| Density | 0.95 @25 °C |
| Refractive Index | n20/D 1.497 (lit.) |
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] |
| InChIKey | UHOVQNZJYSORNB-MZWXYZOWSA-N |
Product Description
Applications: Application Benzene-d6 may be used as a deuterated solvent for the 1H NMR studies of μ-methylene-bis(η5-cyclopentadienylcarbonylcobalt), a bridging methylene complex. Other Notes Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial. Compare Similar Items View Full Comparison Show Differences This Item 364940 175870 570680 Sigma-Aldrich 151815 Benzene-D6 Quick View Sigma-Aldr
Chemical Property Profile of Benzene-D6
Property Insights of Benzene-D6
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-D6. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene-D6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-D6 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene-D6?
The CAS number of Benzene-D6 is 1076-43-3.
What is the molecular formula of Benzene-D6?
The molecular formula of Benzene-D6 is C6H6.
What is the molecular weight of Benzene-D6?
The molecular weight of Benzene-D6 is 84.08461 g/mol.
What does Benzene-D6 look like?
Benzene-D6 appears as liquid.
What are the applications of Benzene-D6?
Application Benzene-d6 may be used as a deuterated solvent for the 1H NMR studies of μ-methylene-bis(η5-cyclopentadienylcarbonylcobalt), a bridging methylene complex. Other Notes Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn...
Where can I buy Benzene-D6?
You can request a quote for Benzene-D6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene-D6?
Yes, CoreyChem provides custom synthesis services for Benzene-D6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.