Aniline hemisulfate
TL;DR: Aniline hemisulfate (CAS 542-16-5) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aniline;sulfuric acid
Also Known As: ANILINE SULFATE, Aniline hemisulfate, Benzenamine, sulfate (2:1), aniline;sulfuric acid, Dianilinium sulphate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16N2O4S |
| Molecular Weight | 284.08307 g/mol |
| XLogP | 1.88 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08307 Da |
| Heavy Atoms | 19 |
| Complexity | 127.0 |
| Density | 1.38 @25 °C |
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
Product Description
Applications: Aniline hemisulfate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aniline hemisulfate (CAS 542-16-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, Aniline hemisulfate (CAS 542-16-5) has the molecular formula C12H16N2O4S and a molecular weight of 284.08 g/mol. Reported properties include a density of 1.38 @25 °C g/cm³. It is also known as ANILINE SULFATE and Aniline hemisulfate.
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 Aniline hemisulfate
Property Insights of Aniline hemisulfate
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline hemisulfate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline hemisulfate. Following Lipinski's Rule of Five, Aniline hemisulfate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aniline hemisulfate?
The CAS number of Aniline hemisulfate is 542-16-5.
What is the molecular formula of Aniline hemisulfate?
The molecular formula of Aniline hemisulfate is C12H16N2O4S.
What is the molecular weight of Aniline hemisulfate?
The molecular weight of Aniline hemisulfate is 284.08307 g/mol.
What are the applications of Aniline hemisulfate?
Aniline hemisulfate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aniline...
Where can I buy Aniline hemisulfate?
You can request a quote for Aniline hemisulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aniline hemisulfate?
Yes, CoreyChem provides custom synthesis services for Aniline hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.