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    • ChemicalBook--->CAS DataBase List--->529-34-0

      529-34-0

      529-34-0 Structure

      529-34-0 Structure
      IdentificationMore
      [Name]

      1-Tetralone
      [CAS]

      529-34-0
      [Synonyms]

      1,2,3,4-TETRAHYDRO-1-NAPHTHALENONE
      1-TETRALONE
      3,4-DIHYDRO-1-(2H)NAPHTHALENEONE
      3,4-DIHYDRO-1(2H)-NAPHTHALENONE
      3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
      ALPHA-TETRALONE
      A-TETRALONE
      KETOTETRAHYDRONAPHTHALENE
      1(2H)-Naphthalenone
      1,2,3,4-Tetrahydro-1-oxonaphthalene
      1,2,3,4-Tetrahydronaphthalen-1-one
      1-Oxo-1,2,3,4-tetrahydronaphthalene
      1-Oxote-trahydronaphthalene
      1-Oxotetralin
      1-Tetrahydronathpalone
      3,4-dihydro-1(2h)-naphthalenon
      Tetralole
      tetralone
      1-Tetralone,97%
      1(2H)-Naphthalenone, 3,4-dihydro-
      [EINECS(EC#)]

      208-460-6
      [Molecular Formula]

      C10H10O
      [MDL Number]

      MFCD00001688
      [Molecular Weight]

      146.19
      [MOL File]

      529-34-0.mol
      Chemical PropertiesBack Directory
      [Appearance]

      clear amber to brown oily liquid
      [Melting point ]

      2-7 °C(lit.)
      [Boiling point ]

      113-116 °C6 mm Hg(lit.)
      [density ]

      1.099 g/mL at 25 °C(lit.)
      [refractive index ]

      n20/D 1.568(lit.)
      [Fp ]

      >230 °F
      [storage temp. ]

      2-8°C
      [solubility ]

      Chloroform, Ethyl Acetate (Slightly)
      [form ]

      Liquid
      [color ]

      brown
      [Water Solubility ]

      insoluble
      [BRN ]

      607374
      [InChIKey]

      XHLHPRDBBAGVEG-UHFFFAOYSA-N
      [CAS DataBase Reference]

      529-34-0(CAS DataBase Reference)
      [NIST Chemistry Reference]

      1(2H)-Naphthalenone, 3,4-dihydro-(529-34-0)
      [EPA Substance Registry System]

      529-34-0(EPA Substance)
      Safety DataBack Directory
      [Hazard Codes ]

      Xn
      [Risk Statements ]

      R22:Harmful if swallowed.
      R20/22:Harmful by inhalation and if swallowed .
      R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
      [Safety Statements ]

      S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
      S24/25:Avoid contact with skin and eyes .
      S36:Wear suitable protective clothing .
      [WGK Germany ]

      3
      [RTECS ]

      QK4375000
      [TSCA ]

      Yes
      [HS Code ]

      29143900
      [Hazardous Substances Data]

      529-34-0(Hazardous Substances Data)
      [Toxicity]

      LD50 orally in Rabbit: 810 mg/kg LD50 dermal Rabbit > 2200 mg/kg
      Raw materials And Preparation ProductsBack Directory
      [Raw materials]

      Aluminum chloride-->Hydrogen fluoride-->Polyphosphoric acid-->Phosphorus pentoxide-->Tin tetrachloride-->Butyryl chloride-->Gamma Butyrolactone-->4-Phenylbutyric acid-->1,2,3,4-Tetrahydronaphthalene-->5-Ethyl-2-methylpyridine-->Chromic acetate-->1(2H)-Naphthalenone, 3,4-dihydro-, 2,2-dimethylhydrazone-->(4,4-Difluoro-3-buten-1-yl)benzene-->4-Phenylbutyryl chloride
      [Preparation Products]

      (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid-->γ-Hydroxybutyrophenone-->7-Hydroxy-1-tetralone-->2,3-Dihydro-1,4-naphthoquinone-->(S)-(+)-1,2,3,4-Tetrahydro-1-naphthol
      Material Safety Data Sheet(MSDS)Back Directory
      [msds information]

      1-Tetralone(529-34-0).msds
      Hazard InformationBack Directory
      [Chemical Properties]

      Clear amber to brown oily liquid
      [Uses]

      1-Tetralone is a reagent used in the synthesis of amino-pyrazolopyridines with anti-NF-κB and pro-apoptotic potential.
      [Synthesis Reference(s)]

      Tetrahedron Letters, 32, p. 4291, 1991 DOI: 10.1016/S0040-4039(00)92151-8
      [Purification Methods]

      Check the IR first. Purify α-tetralone by dissolving 20mL in Et2O (200mL), washing with H2O (100mL), 5% aqueous NaOH (100mL), H2O (100mL), 3% aqueous AcOH (100mL), 5% NaHCO3 (100mL) then H2O (100mL) and dry the ethereal layer over MgSO4. Filter, evaporate and fractionate the residue through a 6in Vigreux column (p 11) under reduced pressure to give a colourless oil (~17g) with b 90-91o/0.50.7mm. [Snyder & Werber Org Synth Coll Vol III 798 1955.] It has also been fractionated through a 0.5metre packed column with a heated jacket under reflux using a partial take-off head. It has max 247.5 and 290nm (hexane). The phenylhydrazone has m 83o. The 2,4,6-trinitrophenylhydrazone has m 247.5-248o (from EtOH). [Olson & Bader Org Synth Coll Vol IV 898 1963, Beilstein 7 H 370, 7 III 1416, 7 IV 1015.]
      Spectrum DetailBack Directory
      [Spectrum Detail]

      1-Tetralone(529-34-0)MS
      1-Tetralone(529-34-0)1HNMR
      1-Tetralone(529-34-0)13CNMR
      1-Tetralone(529-34-0)IR1
      1-Tetralone(529-34-0)Raman
      Well-known Reagent Company Product InformationBack Directory
      [Acros Organics]

      alpha-Tetralone, 98%(529-34-0)
      [Alfa Aesar]

      1-Tetralone, 97%(529-34-0)
      [Sigma Aldrich]

      529-34-0(sigmaaldrich)
      [TCI AMERICA]

      alpha-Tetralone,>98.0%(GC)(529-34-0)
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