Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate

Base Information

• Chemical Name: Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate
• CAS No.: 80036-90-4
• Molecular Formula: C11H13NO7S
• Molecular Weight: 303.28842
• European Community (EC) Number: 279-379-1
• DSSTox Substance ID: DTXSID701000927
• Nikkaji Number: J320.224K
• Wikidata: Q82994700
• Mol file: 80036-90-4.mol

Synonyms:80036-90-4;Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate;Methyl 5-(ethylsulphonyl)-4-nitro-o-anisate;EINECS 279-379-1;DTXSID701000927;NS00060139;methyl 5-ethylsulfonyl-2-methoxy-4-nitrobenzoate;Methyl5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate;METHYL 5-(ETHANESULFONYL)-2-METHOXY-4-NITROBENZOATE

Chemical Property of Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 5.19E-11mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 522.4 °C at 760 mmHg
• Flash Point: 269.7 °C
• PSA: 123.87000
• Density: 1.369 g/cm³
• LogP: 2.78760
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 303.04127293
• Heavy Atom Count: 20
• Complexity: 464

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)[N+](=O)[O-]