3-Bromophenyl Isothiocyanate
TL;DR: 3-Bromophenyl Isothiocyanate (CAS 2131-59-1) is a chemical compound with molecular formula C7H4BrNS and molecular weight 212.92477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3-isothiocyanatobenzene
Also Known As: 3-Bromophenyl isothiocyanate, 1-Bromo-3-isothiocyanatobenzene, 3-Bromophenylisothiocyanate, m-Bromophenyl isothiocyanate, Benzene, 1-bromo-3-isothiocyanato-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrNS |
| Molecular Weight | 212.92477 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.92477 Da |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
| SMILES | C1=CC(=CC(=C1)Br)N=C=S |
| InChIKey | ZMGMGHNOACSMQN-UHFFFAOYSA-N |
Product Description
Applications: 3-Bromophenyl Isothiocyanate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Bromophenyl Isothiocyanate (CAS 2131-59-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Bromophenyl Isothiocyanate is a polymer intermediate identified by CAS number 2131-59-1 and the molecular formula C7H4BrNS and a molecular weight of 212.92 g/mol. It is also known as 3-Bromophenyl isothiocyanate and 1-Bromo-3-isothiocyanatobenzene.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Bromophenyl Isothiocyanate
Property Insights of 3-Bromophenyl Isothiocyanate
The XLogP value of 4.1 indicates that 3-Bromophenyl Isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 3-Bromophenyl Isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromophenyl Isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromophenyl Isothiocyanate?
The CAS number of 3-Bromophenyl Isothiocyanate is 2131-59-1.
What is the molecular formula of 3-Bromophenyl Isothiocyanate?
The molecular formula of 3-Bromophenyl Isothiocyanate is C7H4BrNS.
What is the molecular weight of 3-Bromophenyl Isothiocyanate?
The molecular weight of 3-Bromophenyl Isothiocyanate is 212.92477 g/mol.
What are the applications of 3-Bromophenyl Isothiocyanate?
3-Bromophenyl Isothiocyanate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Bromophenyl Isothiocyanate (CAS 2131-59-1)...
Where can I buy 3-Bromophenyl Isothiocyanate?
You can request a quote for 3-Bromophenyl Isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromophenyl Isothiocyanate?
Yes, CoreyChem provides custom synthesis services for 3-Bromophenyl Isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.