2-Methyl-3,5-dinitrobenzoyl chloride
TL;DR: 2-Methyl-3,5-dinitrobenzoyl chloride (CAS 39614-85-2) is a chemical compound with molecular formula C8H5ClN2O5 and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,5-dinitrobenzoyl chloride
Also Known As: 2-Methyl-3,5-dinitrobenzoyl chloride, EINECS 254-540-9, 3.5-Dinitro-o-toluoylchlorid, 3,5-Dinitro-o-toluoyl chloride, 2-methyl-3,5-dinitrobenzoylchloride
| Molecular Formula | C8H5ClN2O5 |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 2.19042 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.9887 |
| Heavy Atoms | 16 |
| Complexity | 464.1972 |
Chemical Identifiers
| CAS Number | 39614-85-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl |
Product Overview
2-Methyl-3,5-dinitrobenzoyl chloride (CAS 39614-85-2), with molecular formula C8H5ClN2O5 and molecular weight 243.99 g/mol. IUPAC: 2-methyl-3,5-dinitrobenzoyl chloride.
Chemical Property Profile of 2-Methyl-3,5-dinitrobenzoyl chloride
Property Insights of 2-Methyl-3,5-dinitrobenzoyl chloride
The XLogP value of 2.19042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3,5-dinitrobenzoyl chloride. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3,5-dinitrobenzoyl chloride. Following Lipinski's Rule of Five, 2-Methyl-3,5-dinitrobenzoyl chloride has 0 hydrogen bond donor(s) and 5 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 2-Methyl-3,5-dinitrobenzoyl chloride?
The CAS number of 2-Methyl-3,5-dinitrobenzoyl chloride is 39614-85-2.
What is the molecular formula of 2-Methyl-3,5-dinitrobenzoyl chloride?
The molecular formula of 2-Methyl-3,5-dinitrobenzoyl chloride is C8H5ClN2O5.
What is the molecular weight of 2-Methyl-3,5-dinitrobenzoyl chloride?
The molecular weight of 2-Methyl-3,5-dinitrobenzoyl chloride is 243.99 g/mol.
Where can I buy 2-Methyl-3,5-dinitrobenzoyl chloride?
You can request a quote for 2-Methyl-3,5-dinitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3,5-dinitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,5-dinitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.