Bitolylene diisocyanate
TL;DR: Bitolylene diisocyanate (CAS 91-97-4) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Also Known As: Bitolylene diisocyanate, Nacconate 200, 4,4'-Diisocyanato-3,3'-dimethylbiphenyl, o-Tolidine, 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.08987 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.08987 Da |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
Product Description
Applications: Bitolylene diisocyanate is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bitolylene diisocyanate (CAS 91-97-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bitolylene diisocyanate is a polymer intermediate identified by CAS number 91-97-4 and the molecular formula C16H12N2O2 and a molecular weight of 264.09 g/mol. It is also known as Bitolylene diisocyanate and Nacconate 200.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bitolylene diisocyanate
Property Insights of Bitolylene diisocyanate
The XLogP value of 5.9 indicates that Bitolylene diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Bitolylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bitolylene diisocyanate 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 Bitolylene diisocyanate?
The CAS number of Bitolylene diisocyanate is 91-97-4.
What is the molecular formula of Bitolylene diisocyanate?
The molecular formula of Bitolylene diisocyanate is C16H12N2O2.
What is the molecular weight of Bitolylene diisocyanate?
The molecular weight of Bitolylene diisocyanate is 264.08987 g/mol.
What are the applications of Bitolylene diisocyanate?
Bitolylene diisocyanate is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bitolylene diisocyanate (CAS 91-97-4) with custom...
Where can I buy Bitolylene diisocyanate?
You can request a quote for Bitolylene diisocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bitolylene diisocyanate?
Yes, CoreyChem provides custom synthesis services for Bitolylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.