3-Fluoro-4-nitrobenzotrifluoride

Base Information

• Chemical Name: 3-Fluoro-4-nitrobenzotrifluoride
• CAS No.: 402-12-0
• Molecular Formula: C₇H₃F₄NO₂
• Molecular Weight: 209.1
• Hs Code.: 2904909090
• European Community (EC) Number: 639-336-3
• DSSTox Substance ID: DTXSID00395524
• Wikidata: Q72475295
• Mol file: 402-12-0.mol

Synonyms:3-fluoro-4-nitrobenzotrifluoride;402-12-0;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;2-Fluoro-4-(trifluoromethyl)nitrobenzene;MFCD03840208;Benzene, 2-fluoro-1-nitro-4-(trifluoromethyl)-;2-Fluoro-1-nitro-4-trifluoromethyl-benzene;SCHEMBL113070;DTXSID00395524;AKOS005063752;AC-4141;AM61959;AS-33182;SY075503;3-fluoro-4-nitrobenzotrifluoride, AldrichCPR;CS-0033211;FT-0602728;A21376;A900534

Chemical Property of 3-Fluoro-4-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.172mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 219.9 °C at 760 mmHg
• Flash Point: 86.8 °C
• PSA: 45.82000
• Density: 1.504 g/cm³
• LogP: 3.27590
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 209.00999099
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

3-Fluoro-4-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)[N+](=O)[O-]