4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile

Base Information

• Chemical Name: 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile
• CAS No.: 80036-88-0
• Molecular Formula: C10H12 N2 O3 S
• Molecular Weight: 240.27888
• European Community (EC) Number: 279-378-6
• DSSTox Substance ID: DTXSID001000926
• Nikkaji Number: J320.223B
• Wikidata: Q82994699
• Mol file: 80036-88-0.mol

Synonyms:80036-88-0;EINECS 279-378-6;4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile;4-AMINO-5-(ETHYLSULFONYL)-2-METHOXYBENZONITRILE;4-amino-5-ethylsulfonyl-2-methoxybenzonitrile;DTXSID001000926;4-AMINO-5-(ETHANESULFONYL)-2-METHOXYBENZONITRILE

Chemical Property of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile

Chemical Property:

• Vapor Pressure: 2.81E-10mmHg at 25°C
• Boiling Point: 503.8°C at 760 mmHg
• PKA: -3.71±0.13(Predicted)
• Flash Point: 258.5°C
• PSA: 101.56000
• Density: 1.34g/cm³
• LogP: 2.60468
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 240.05686342
• Heavy Atom Count: 16
• Complexity: 379

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)C#N)OC)N