Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
TL;DR: Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 377-00-4) is a chemical compound with molecular formula C5H2F7NO and molecular weight 225.00246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane
Also Known As: 2,2,3,3,4,4,4-Heptafluorobutyl isocyanate, 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane, ISOCYANIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER, 2,2,3,3,4,4,4-Heptafluorobutylisocyanate, 4-04-00-00613 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C5H2F7NO |
| Molecular Weight | 225.00246 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.00246 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)N=C=O |
| InChIKey | NLGMQMZUOBUPCW-UHFFFAOYSA-N |
Product Description
Applications: Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 377-00-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is a fine chemical identified by CAS number 377-00-4 and the molecular formula C5H2F7NO and a molecular weight of 225 g/mol. It is also known as 2,2,3,3,4,4,4-Heptafluorobutyl isocyanate and 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane.
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 Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Property Insights of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
The XLogP value of 3.5 indicates that Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The CAS number of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 377-00-4.
What is the molecular formula of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular formula of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is C5H2F7NO.
What is the molecular weight of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular weight of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 225.00246 g/mol.
What are the applications of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 377-00-4) with custom synthesis available...
Where can I buy Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
You can request a quote for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
Yes, CoreyChem provides custom synthesis services for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.