2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
TL;DR: 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS 837-95-6) is a chemical compound with molecular formula C7H3ClF3NO4S and molecular weight 288.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
Also Known As: 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 2-nitro-4-(trifluoromethyl)benzenesulfonylchloride, 2-NITRO-4- BENZENESULFONYLCHLORIDE, 2-nitro-4-trifluoromethylbenzenesulfonyl chloride
| Molecular Formula | C7H3ClF3NO4S |
|---|---|
| Molecular Weight | 288.94 g/mol |
| LogP | 2.5411 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.94235 |
| Heavy Atoms | 17 |
| Complexity | 568.9718 |
Chemical Identifiers
| CAS Number | 837-95-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)Cl |
Product Overview
2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS 837-95-6), with molecular formula C7H3ClF3NO4S and molecular weight 288.94 g/mol. IUPAC: 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride.
Chemical Property Profile of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
Property Insights of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
The XLogP value of 2.5411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 4 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-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride?
The CAS number of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride is 837-95-6.
What is the molecular formula of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride?
The molecular formula of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride is C7H3ClF3NO4S.
What is the molecular weight of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride?
The molecular weight of 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride is 288.94 g/mol.
Where can I buy 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride?
You can request a quote for 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.