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Home> Encyclopedia > Hot Product Listed 2   > 2-Thiazolamine,4-(3,4-difluorophenyl)-
136685-37-5 structure

2-Thiazolamine,4-(3,4-difluorophenyl)-

Iupac Name:(1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
CAS No.:136685-37-5
Molecular Weight:234.251
Molecular Formula:C7H3N3O (isomer)
Properties
Appearance
White to pale brownSolid
Density
1.056
Boiling Point
64-65ºC 13 mm Hg(lit.)
Vapour
6.66E-10mmHg at 25°C
Refractive Index
1.575
Flash Point
85 ºC
Solubility
at 25 deg C (mg/L): 105.6
Safety and Handling
Safety

Hazard Codes:
Xn: Harmful
Xi: Irritant
Risk Statements:
R22:Harmful if swallowed.  
R36:Irritating to eyes.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.  
S36:Wear suitable protective clothing. 
WGK Germany: 3
Hazard Note: Irritant

Computational chemical data
  • Molecular Weight:234.251g/mol
  • Molecular Formula:C7H3N3O
  • Compound Is Canonicalized:True
  • Exact Mass:234.089
  • Monoisotopic Mass:234.089
  • Complexity:298
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55.8A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:4
  • 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: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAASAAABAAAAGgAACAAADBSgmAIwCIAABgCI AiDSCAACAAAgAAAIiAEACIgJNjaAMRiCcAAl4AELqAfIzODOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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