氘代苯
TL;DR: 氘代苯 (CAS 1076-43-3) is a chemical compound with molecular formula C6H6 and molecular weight 84.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氘代苯
1,2,3,4,5,6-hexadeuteriobenzene
Also Known As: Benzene-d6, Perdeuterobenzene, Hexadeuterobenzene, Benzene D6, hexadeuteriobenzene
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 84.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.08461 |
| Heavy Atoms | 6 |
| Complexity | 15.0 |
| Appearance | liquid |
| Melting Point | 7 °C |
| Boiling Point | 79 °C @760 [mm Hg] |
| Density | 0.95 @25 °C |
| Refractive Index | n20 1.497 (lit.) |
Chemical Identifiers
| CAS Number | 1076-43-3 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] |
| InChIKey | UHOVQNZJYSORNB-MZWXYZOWSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
📋 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
Product Overview
氘代苯 (CAS 1076-43-3), with molecular formula C6H6 and molecular weight 84.08 g/mol. IUPAC: 1,2,3,4,5,6-hexadeuteriobenzene.
Appearance: liquid, purity ≥99% (CP).
Primary 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 氘代苯
Property Insights of 氘代苯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氘代苯. With a topological polar surface area (TPSA) of 0.0 Ų, 氘代苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氘代苯 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
Frequently Asked Questions
What is the CAS number of 氘代苯?
The CAS number of 氘代苯 is 1076-43-3.
What is the molecular formula of 氘代苯?
The molecular formula of 氘代苯 is C6H6.
What is the molecular weight of 氘代苯?
The molecular weight of 氘代苯 is 84.08 g/mol.
What does 氘代苯 look like?
氘代苯 appears as liquid.
What are the applications of 氘代苯?
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 氘代苯?
You can request a quote for 氘代苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氘代苯?
Yes, KEHONG BIO provides custom synthesis services for 氘代苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.