4-Methyl-2-nitrobenzoyl chloride
TL;DR: 4-Methyl-2-nitrobenzoyl chloride (CAS 50424-81-2) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-nitrobenzoyl chloride
Also Known As: 4-Methyl-2-nitrobenzoyl chloride, 3-Nitro-p-toluoyl chloride, EINECS 256-587-0, 4-methyl-2-nitrobenzoylchloride, 4-Methyl-2-nitro-benzoylchlorid
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.28222 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 375.65192 |
Chemical Identifiers
| CAS Number | 50424-81-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)Cl)[N+](=O)[O-] |
Product Overview
4-Methyl-2-nitrobenzoyl chloride (CAS 50424-81-2), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 4-methyl-2-nitrobenzoyl chloride.
Chemical Property Profile of 4-Methyl-2-nitrobenzoyl chloride
Property Insights of 4-Methyl-2-nitrobenzoyl chloride
The XLogP value of 2.28222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-nitrobenzoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitrobenzoyl chloride. Following Lipinski's Rule of Five, 4-Methyl-2-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
Frequently Asked Questions
What is the CAS number of 4-Methyl-2-nitrobenzoyl chloride?
The CAS number of 4-Methyl-2-nitrobenzoyl chloride is 50424-81-2.
What is the molecular formula of 4-Methyl-2-nitrobenzoyl chloride?
The molecular formula of 4-Methyl-2-nitrobenzoyl chloride is C8H6ClNO3.
What is the molecular weight of 4-Methyl-2-nitrobenzoyl chloride?
The molecular weight of 4-Methyl-2-nitrobenzoyl chloride is 199.00 g/mol.
Where can I buy 4-Methyl-2-nitrobenzoyl chloride?
You can request a quote for 4-Methyl-2-nitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.