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Home> Hot Product Listed 4   > 4-(TRIFLUOROMETHYL)PYRIDINE-2,6-DIOL
19205-19-7 structure

4-(TRIFLUOROMETHYL)PYRIDINE-2,6-DIOL

Iupac Name:5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CAS No.:19205-19-7
Molecular Weight:340.382
Molecular Formula:C7H11NO4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C22H16N2O2/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2/h3-12H,1-2H3
InChkey
SCZWJXTUYYSKGF-UHFFFAOYSA-N
Canonical Smiles
CN1C2=CC=CC=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=CC=CC=C5N4C
Properties
Density
1.164
Melting Point
157-161 oC
Boiling Point
436.8°C at 760 mmHg
Vapour
2.66E-13mmHg at 25°C
Refractive Index
1.686
Flash Point
356°C
Safety and Handling
Safety Statements
S22;S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:340.382g/mol
  • Molecular Formula:C7H11NO4
  • Compound Is Canonicalized:True
  • Exact Mass:340.121
  • Monoisotopic Mass:340.121
  • Complexity:553
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40.6A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACxUAAAHgAAAAAADAyBmAQywIMAAACI AqRSQACCAAAlAgAIiAEIZMgIIHrAlZGEIYhggADIyccciMCOQACAQAACAACAAQCAAAQAAAAAAAAA AA==
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