3-Nitro-5-(phenylsulfanyl)aniline

Base Information

• Chemical Name: 3-Nitro-5-(phenylsulfanyl)aniline
• CAS No.: 208038-89-5
• Molecular Formula: C12H10 N2 O2 S
• Molecular Weight: 246.29
• DSSTox Substance ID: DTXSID00351443
• Nikkaji Number: J2.513.578D
• Wikidata: Q82127860
• Mol file: 208038-89-5.mol

Synonyms:208038-89-5;3-nitro-5-(phenylsulfanyl)aniline;3-nitro-5-phenylsulfanylaniline;3-Nitro-5-(phenylthio)aniline;3-nitro-5-(phenylthio)benzenamine;Benzenamine, 3-nitro-5-(phenylthio)-;3-nitro-5-(phenyl-thio)aniline;DTXSID00351443;MFCD01103800;STK760851;AKOS000280883;CS-0320708;EU-0018667;FT-0616226;AG-205/25011069;SR-01000525558;SR-01000525558-1

Chemical Property of 3-Nitro-5-(phenylsulfanyl)aniline

Chemical Property:

• Vapor Pressure: 8.61E-09mmHg at 25°C
• Refractive Index: 1.696
• Boiling Point: 464.1°C at 760 mmHg
• Flash Point: 234.5°C
• PSA: 97.14000
• Density: 1.37g/cm³
• LogP: 4.43260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 246.04629874
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99%min ^*data from raw suppliers

3-NITRO-5-(PHENYLTHIO)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N