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    Sorbic chloride

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      Sorbic chloride

      SKU
      S0036

      Category: Building Blocks, Intermediates, Reagents

      Synonyms
      Sorbyl chloride , (2E,4E)-2,4-Hexadienoyl chloride , (E,E)-2,4-Hexadienoyl chloride , trans,trans-2,4-Hexadienoyl chloride , Sorbic acid chloride
      2614-88-2
      CAS-Number
      C6H7ClO
      Molecular Formula
      130.57
      Molecular Weight

      For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.

      • Product Data
      • Handling
      • Safety Information
      • Details

      Specifications

      Purity
      ≥80% (GC)
      Appearance
      Colourless to yellow liquid
      Identity
      1H-NMR

      Properties

      Solvents
      water, CH2Cl2, chloroform
      Boiling Point
      45.5 °C at 12 Torr
      Density
      1.0666 g/cm3 at 18.75 °C

      Documentation

      Safety Data Sheet (SDS)
      CDX S0036 MSDS.pdf
      Shipping
      AMBIENT
      Short Term Storage
      +4°C
      Long Term Storage
      -20°C
      Handling Advice
      Very hygroscopic. Store under inert gas.
      Use / Stability
      Stable for at least 2 years after receipt when stored at -20°C.
      Hazard statements
      H314
      Precautionary statements
      P264, P280, P301 + P330 + P331, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P310
      GHS Symbol
      GHS05
      Signal word
      Danger
      RIDADR
      UN3265
      Transportation
      Packing Group II
      Description
      Reactant for: (1) preparation of unsaturated hydroxymethylene diphosphonic acid derivatives by reaction of trimethylsilyl phosphites, (2) asymmetrical synthesis of the isoindolinone subunit of the macrocyclic poylketide natural product muironolide via stereoselective intramolecular Diels-Alder cycloaddition, (3) preparation of emollient, humectant, and fluorescent ?,?-unsaturated thiol esters for long-acting skin applications, (4) stereoselective synthesis of enediol carbonates for use in the asymmetrical synthesis of ?-acyloxyketones, (5) acylation of pyrazoles.
      Smiles
      C/C=C/C=C/C(Cl)=O
      InChi Key
      GRTWTVFDPBKQNU-MQQKCMAXSA-N
      References
      (1) K. Itoh, et al.: Org. Lett. 7, 979 (2005) , (2) B.M Trost, et al.: JACS 130, 11852 (2008) , (3) C. Robinson, et al.: Bioorg. Chem. 36, 265 (2008) , (4) B. Flores & T.F. Molinski: Org. Lett. 13, 3932 (2011) , (5) A.A. Prishchenko, et al.: Russ. J. Gen. Chem. 81, 1730 (2011)
      InChi
      InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+

      Reactant for: (1) preparation of unsaturated hydroxymethylene diphosphonic acid derivatives by reaction of trimethylsilyl phosphites, (2) asymmetrical synthesis of the isoindolinone subunit of the macrocyclic poylketide natural product muironolide via stereoselective intramolecular Diels-Alder cycloaddition, (3) preparation of emollient, humectant, and fluorescent ?,?-unsaturated thiol esters for long-acting skin applications, (4) stereoselective synthesis of enediol carbonates for use in the asymmetrical synthesis of ?-acyloxyketones, (5) acylation of pyrazoles.

      SKU: S0036 Category: Building Blocks, Intermediates, Reagents
      • Additional information

      Additional information

      Synonyms

      Sorbyl chloride, (2E,4E)-2,4-Hexadienoyl chloride, (E,E)-2,4-Hexadienoyl chloride, trans,trans-2,4-Hexadienoyl chloride, Sorbic acid chloride

      Purity

      ≥80% (GC)

      Appearance

      Colourless to yellow liquid

      CAS-Number

      2614-88-2

      Molecular Formula

      C6H7ClO

      Molecular Weight

      130.57

      Identity

      1H-NMR

      Solvents

      water, CH2Cl2, chloroform

      Boiling Point

      45.5 °C at 12 Torr

      Density

      1.0666 g/cm3 at 18.75 °C

      Smiles

      C/C=C/C=C/C(Cl)=O

      InChi Key

      GRTWTVFDPBKQNU-MQQKCMAXSA-N

      Shipping

      AMBIENT

      Short Term Storage

      +4°C

      Long Term Storage

      -20°C

      Handling Advice

      Very hygroscopic. Store under inert gas.

      Use / Stability

      Stable for at least 2 years after receipt when stored at -20°C.

      Hazard statements

      H314

      Precautionary statements

      P264, P280, P301 + P330 + P331, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P310

      GHS Symbol

      GHS05

      Signal word

      Danger

      RIDADR

      UN3265

      Transportation

      Packing Group II

      References

      (1) K. Itoh, et al.: Org. Lett. 7, 979 (2005), (2) B.M Trost, et al.: JACS 130, 11852 (2008), (3) C. Robinson, et al.: Bioorg. Chem. 36, 265 (2008), (4) B. Flores & T.F. Molinski: Org. Lett. 13, 3932 (2011), (5) A.A. Prishchenko, et al.: Russ. J. Gen. Chem. 81, 1730 (2011)

      InChi

      InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+

      Quantity

      1 g, 5 g, Bulk

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