Cas no 89373-67-1 (Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-)

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- structure
89373-67-1 structure
Product Name:Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
CAS No:89373-67-1
MF:C11H4ClF17O
MW:510.574722290039
CID:711652
PubChem ID:57652378
Update Time:2024-10-26

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Chemical and Physical Properties

Names and Identifiers

    • Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
    • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride
    • 2,2,3,3-tetrahydroperfluoroundecanoyl chloride
    • 2H,2H,3H,3H-perfluoro undecanoyl chloride
    • 2H,2H,3H,3H-perfluoroundecanoic acid chloride
    • chlorure d'acide 3-perfluorooctyl propionique
    • le chlorure de 1H,1H,2H,2H-perfluoroun-decanoyle
    • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoyl chloride (ACI)
    • 2H,2H,3H,3H-Perfluoroundecanoyl chloride
    • NS00019302
    • DB-228930
    • DTXSID90446276
    • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-undecanoyl chloride
    • 3-(perfluorooctyl)propionyl chloride
    • SCHEMBL3964350
    • 4 4 5 5 6 6 ....-Heptadecafluoro-undecan
    • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoyl chloride, >=97.0% (GC)
    • 89373-67-1
    • (Perfluorooctyl)propanoyl chloride
    • MDL: MFCD05664712
    • Inchi: 1S/C11H4ClF17O/c12-3(30)1-2-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29/h1-2H2
    • InChI Key: QYLZAPXXSYDKKB-UHFFFAOYSA-N
    • SMILES: O=C(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

Computed Properties

  • Exact Mass: 509.96800
  • Monoisotopic Mass: 509.9679212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 9
  • Complexity: 649
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 6.54140

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • FLUKA BRAND F CODES:10-21
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Pricemore >>

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Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Diethyl ether
Reference
Combining Lipase-Catalyzed Enantiomer-Selective Acylation with Fluorous Phase Labeling: A New Method for the Resolution of Racemic Alcohols
Hungerhoff, Benno; Sonnenschein, Helmut; Theil, Fritz, Journal of Organic Chemistry, 2002, 67(6), 1781-1785

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  2 h, 100 °C; 1 atm, 80 °C
Reference
Fluorous derivatives of (1R,2R)-diaminocyclohexane as chiral ligands for metal-catalyzed asymmetric reactions
Bayardon, Jerome; Sinou, Denis; Holczknecht, Orsolya; Mercs, Laszlo; Pozzi, Gianluca, Tetrahedron: Asymmetry, 2005, 16(13), 2319-2327

Production Method 3

Reaction Conditions
Reference
Convenient synthesis of mosquito oviposition pheromone and a highly fluorinated analog retaining biological activity
Dawson, Glenn W.; Mudd, Alan; Pickett, John A.; Pile, Mary M.; Wadhams, Lester J., Journal of Chemical Ecology, 1990, 16(6), 1779-89

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride
Reference
Synthesis of 2-F-alkylethyl isocyanates
Jouani, A. M.; Szonyi, F.; Cambon, A., Journal of Fluorine Chemistry, 1992, 56(1), 85-92

Production Method 5

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Diethyl ether ;  4 h, reflux; reflux → 0 °C
Reference
2,2,2-Trifluoroethyl 2H,2H,3H,3H-perfluoroundecanoate. A highly fluorinated acyl donor useful for the lipase catalyzed labeling of racemic alcohols
Theil, Fritz; Sonnenschein, Helmut; Hungerhoff, Benno; Swaleh, Sauda M., Handbook of Fluorous Chemistry, 2004, 403, 403-405

Production Method 6

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: Chloroform ,  Dichloromethane ;  rt; 4 h, reflux
Reference
Synthesis of New Long-Chain Fluoroalkyl Glycolipids: Relation of Amphiphilic Properties to Morphology of Supramolecular Assemblies
Emmanouil, V.; Ghoul, M. El; Andre-Barres, C.; Guidetti, B.; Rico-Lattes, I.; et al, Langmuir, 1998, 14(19), 5389-5395

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Raw materials

Undecanoyl chloride,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro- Preparation Products

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