4-Nitrobenzoyl chloride
TL;DR: 4-Nitrobenzoyl chloride (CAS 122-04-3) is a chemical compound with molecular formula C7H4ClNO3 and molecular weight 184.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrobenzoyl chloride
Also Known As: 4-Nitrobenzoyl chloride, P-NITROBENZOYL CHLORIDE, Benzoyl chloride, 4-nitro-, null, 4-Nitrobenzoic acid chloride
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNO3 |
| Molecular Weight | 184.98798 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.98798 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| Melting Point | 167 °F (NTP, 1992) |
| Boiling Point | 396 to 401 °F at 105 mmHg (NTP, 1992) |
| Solubility | Decomposes (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] |
| InChIKey | SKDHHIUENRGTHK-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitrobenzoyl chloride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Nitrobenzoyl chloride is a heterocyclic building block identified by CAS number 122-04-3 and the molecular formula C7H4ClNO3 and a molecular weight of 184.99 g/mol. Physically, the compound has a solubility: Decomposes (NTP, 1992). Synonyms include 4-Nitrobenzoyl chloride and P-NITROBENZOYL CHLORIDE.
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-Nitrobenzoyl chloride
Property Insights of 4-Nitrobenzoyl chloride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzoyl chloride. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzoyl chloride. Following Lipinski's Rule of Five, 4-Nitrobenzoyl chloride has 0 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 4-Nitrobenzoyl chloride?
The CAS number of 4-Nitrobenzoyl chloride is 122-04-3.
What is the molecular formula of 4-Nitrobenzoyl chloride?
The molecular formula of 4-Nitrobenzoyl chloride is C7H4ClNO3.
What is the molecular weight of 4-Nitrobenzoyl chloride?
The molecular weight of 4-Nitrobenzoyl chloride is 184.98798 g/mol.
What are the applications of 4-Nitrobenzoyl chloride?
4-Nitrobenzoyl chloride 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. Available from CoreyChem as both catalog item and...
Where can I buy 4-Nitrobenzoyl chloride?
You can request a quote for 4-Nitrobenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrobenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.