trifluoro-$l^{3}-chlorane

• ChemBase ID: 94361
• Molecular Formular: ClF3
• Molecular Mass: 92.4482096
• Monoisotopic Mass: 91.96406234
• SMILES: [Cl](F)(F)F
• Canonical SMILES: F[Cl](F)F
• InChI: InChI=1S/ClF3/c2-1(3)4
• InChIKey: JOHWNGGYGAVMGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro-$l^{3}-chlorane; trifluoro-λ^3-chlorane
• IUPAC Systematic name: Trifluoro-λ^3-chlorane
• IUPAC Traditional name: chlorine trifluoride; trifluoro-λ^3-chlorane
• Synonyms: Chlorine trifluoride 99%; Chlorine trifluoride

Database IDs

• CAS Number: 7790-91-2
• EC Number: 232-230-4
• MDL Number: MFCD00042534
• PubChem SID: 162081015
• PubChem CID: 24637
• CHEBI ID: 30123
• Chemspider ID: 23039
• Gmelin ID: 1439
• MeSH Name: chlorine+trifluoride
• Wikipedia Title: Chlorine_trifluoride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3044127
• LogD (pH = 7.4): 1.3044127
• Log P: 1.3044127
• Molar Refractivity: 10.6402 cm^3
• Polarizability: 3.6499915 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts violently with benzene, toluene, ether, alcohol, acetic acid, selenium tetrafluoride, nitric acid, sulfuric acid, alkali, hexane. Forms shock-sensitive explosive solution in CCl₄; Reacts violently with water
• Apperance: Colourless gas
• Melting Point: -76.3°C; -76.34°C
• Boiling Point: 11°C; 11.75°C (decomposes @ 180°C)
• Density: 4 mg cm^-3
• Vapor Pressure: 175 kPa
• Viscosity: 91.82 μPa s
• Odor: sweet and pungent
• Std enthalpy of formation: -158.87 kJ mol^-1
• Std molar entropy: 281.59 J K^-1mol^-1

Safety Information

• Storage Warning: Toxic/Oxidising Agent/Corrosive
• RTECS: FO2800000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Oxidising (O); Highly toxic (T+)
• UN Number: 1749
• Risk Statements: R8, R14, R39/26/27/28, R35, R49, R46, R60, R61
• Safety Statements: S1/2, S17, S30, S38, S45, S53, S60, S61
• GHS Pictograms: GHS corrosion; GHS flame over circle; GHS health hazard; GHS skull and crossbones
• GHS Signal Word: DANGER!!
• NFPA704:
  

  0

  4

  3

  W+OX

DETAILS

Apollo Scientific Ltd - PC1685

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