4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride
• CAS No.: 56191-23-2
• Molecular Formula: C14H10 F3 N O3 S
• Molecular Weight: 329.29
• Hs Code.: 2930909090
• European Community (EC) Number: 671-950-7
• DSSTox Substance ID: DTXSID70379578
• Wikidata: Q82169452
• Mol file: 56191-23-2.mol

Synonyms:56191-23-2;4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride;Methyl(4-(2-nitro-4-(trifluoromethyl)phenoxy)phenyl)sulfane;1-(4-methylsulfanylphenoxy)-2-nitro-4-(trifluoromethyl)benzene;Maybridge1_001371;HMS545G07;DTXSID70379578;1-[4-(methylthio)phenoxy]-2-nitro-4-(trifluoromethyl)benzene;1-[4-(methylsulfanyl)phenoxy]-2-nitro-4-(trifluoromethyl)benzene;AKOS024388188;FT-0617359;A830955

Chemical Property of 4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride

Chemical Property:

• Vapor Pressure: 2.14E-05mmHg at 25°C
• Melting Point: 41 °C
• Boiling Point: 371.9°C at 760 mmHg
• Flash Point: 178.7°C
• PSA: 80.35000
• Density: 1.43g/cm³
• LogP: 5.65100
• Sensitive.: Stench
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 329.03334884
• Heavy Atom Count: 22
• Complexity: 381

Purity/Quality:

98%min ^*data from raw suppliers

4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]