4-Chloro-3-nitrobenzoic acid
TL;DR: 4-Chloro-3-nitrobenzoic acid (CAS 96-99-1) is a chemical compound with molecular formula C7H4ClNO4 and molecular weight 200.98288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-nitrobenzoic acid
Also Known As: 4-CHLORO-3-NITROBENZOIC ACID, 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, Intedanib Impurity 1, 4-Chloro-3-nitrobenzoicAcid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNO4 |
| Molecular Weight | 200.98288 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.98288 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl |
| InChIKey | DFXQXFGFOLXAPO-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3-nitrobenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-nitrobenzoic acid (CAS 96-99-1) 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, 4-Chloro-3-nitrobenzoic acid (CAS 96-99-1) has the molecular formula C7H4ClNO4 and a molecular weight of 200.98 g/mol. It is also known as 4-CHLORO-3-NITROBENZOIC ACID and 3-Nitro-4-chlorobenzoic acid.
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 4-Chloro-3-nitrobenzoic acid
Property Insights of 4-Chloro-3-nitrobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-nitrobenzoic acid?
The CAS number of 4-Chloro-3-nitrobenzoic acid is 96-99-1.
What is the molecular formula of 4-Chloro-3-nitrobenzoic acid?
The molecular formula of 4-Chloro-3-nitrobenzoic acid is C7H4ClNO4.
What is the molecular weight of 4-Chloro-3-nitrobenzoic acid?
The molecular weight of 4-Chloro-3-nitrobenzoic acid is 200.98288 g/mol.
What are the applications of 4-Chloro-3-nitrobenzoic acid?
4-Chloro-3-nitrobenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-nitrobenzoic...
Where can I buy 4-Chloro-3-nitrobenzoic acid?
You can request a quote for 4-Chloro-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.