2-Methyl-4-nitrophenol
TL;DR: 2-Methyl-4-nitrophenol (CAS 99-53-6) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-nitrophenol
Also Known As: 2-METHYL-4-NITROPHENOL, 4-Nitro-o-cresol, p-Nitro-o-cresol, 2-Hydroxy-5-nitrotoluene, o-Cresol, 4-nitro-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04259 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.04259 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | KDQPMQNHVQVVMR-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-4-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-4-nitrophenol (CAS 99-53-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Methyl-4-nitrophenol (CAS 99-53-6) has the molecular formula C7H7NO3 and a molecular weight of 153.04 g/mol. It is also known as 2-METHYL-4-NITROPHENOL and 4-Nitro-o-cresol.
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 2-Methyl-4-nitrophenol
Property Insights of 2-Methyl-4-nitrophenol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitrophenol. Following Lipinski's Rule of Five, 2-Methyl-4-nitrophenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-4-nitrophenol?
The CAS number of 2-Methyl-4-nitrophenol is 99-53-6.
What is the molecular formula of 2-Methyl-4-nitrophenol?
The molecular formula of 2-Methyl-4-nitrophenol is C7H7NO3.
What is the molecular weight of 2-Methyl-4-nitrophenol?
The molecular weight of 2-Methyl-4-nitrophenol is 153.04259 g/mol.
What are the applications of 2-Methyl-4-nitrophenol?
2-Methyl-4-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Methyl-4-nitrophenol?
You can request a quote for 2-Methyl-4-nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-nitrophenol?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.