4-(Ethylsulphonyl)-3-nitroanisole

Base Information

• Chemical Name: 4-(Ethylsulphonyl)-3-nitroanisole
• CAS No.: 80036-85-7
• Molecular Formula: C9H11 N O5 S
• Molecular Weight: 245.25234
• European Community (EC) Number: 279-374-4
• DSSTox Substance ID: DTXSID901000923
• Nikkaji Number: J320.220H
• Wikidata: Q82994696
• Mol file: 80036-85-7.mol

Synonyms:4-(Ethylsulphonyl)-3-nitroanisole;80036-85-7;EINECS 279-374-4;1-ethylsulfonyl-4-methoxy-2-nitrobenzene;SCHEMBL12727381;DTXSID901000923;1-(ETHANESULFONYL)-4-METHOXY-2-NITROBENZENE

Chemical Property of 4-(Ethylsulphonyl)-3-nitroanisole

Chemical Property:

• Vapor Pressure: 7.96E-08mmHg at 25°C
• Boiling Point: 448.8°C at 760 mmHg
• Flash Point: 225.3°C
• PSA: 97.57000
• Density: 1.336g/cm³
• LogP: 3.00100
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.03579362
• Heavy Atom Count: 16
• Complexity: 342

Purity/Quality:

99% ^*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)OC)[N+](=O)[O-]