Toluene-d8
TL;DR: Toluene-d8 (CAS 2037-26-5) is a chemical compound with molecular formula C7H8 and molecular weight 100.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
Also Known As: TOLUENE-D8, Toluene D8, Perdeuteriotoluene, (2H8)Toluene, Benzene-d5, methyl-d3-
| Molecular Formula | C7H8 |
|---|---|
| Molecular Weight | 100.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.112816 |
| Heavy Atoms | 7 |
| Complexity | 42.0 |
| Melting Point | -84 °C |
| Boiling Point | 110 °C @760 [mm Hg] |
| Density | 0.94 @25 °C |
| Vapor Pressure | 21.8 [mmHg] |
Chemical Identifiers
| CAS Number | 2037-26-5 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H] |
| InChIKey | YXFVVABEGXRONW-JGUCLWPXSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene-d8 (CAS 2037-26-5), with molecular formula C7H8 and molecular weight 100.11 g/mol. IUPAC: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene.
Chemical Property Profile of Toluene-d8
Property Insights of Toluene-d8
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-d8. With a topological polar surface area (TPSA) of 0.0 Ų, Toluene-d8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene-d8 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 Toluene-d8?
The CAS number of Toluene-d8 is 2037-26-5.
What is the molecular formula of Toluene-d8?
The molecular formula of Toluene-d8 is C7H8.
What is the molecular weight of Toluene-d8?
The molecular weight of Toluene-d8 is 100.11 g/mol.
Where can I buy Toluene-d8?
You can request a quote for Toluene-d8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-d8?
Yes, KEHONG BIO provides custom synthesis services for Toluene-d8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.