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Alpha-haloketones

Description:

Organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
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  1. 1-Bromo-4-(trimethylsilyl)but-3-yn-2-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 433257-41-1        EC Number: ‘862-802-4
    Formula:  C7H11BrOSi        Molecular Weight: 219.15
    IUPAC Name:  1-bromo-4-trimethylsilylbut-3-yn-2-one
    SMILES:  C[Si](C)(C)C#CC(=O)CBr
    InChIKey: AUXMRAOWTLDXNT-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H11BrOSi/c1-10(2,3)5-4-7(9)6-8/h6H2,1-3H3
    Synonyms: F71812 | 1-bromo-4-(trimethylsilyl)but-3-yn-2-one | EN300-246860 | 1-Bromo-4-(trimethylsilyl)-3-butyne-2-one | 1-brom...
  2. 2,4-Dibromo-3-pentanone
      Grade & Purity: 
    • ≥99%
    • mixture of isomers
    Cas Number: 815-60-1
    Formula:  C5H8Br2O        Molecular Weight: 243.92
    IUPAC Name:  2,4-dibromopentan-3-one
    SMILES:  CC(C(=O)C(C)Br)Br
    InChIKey: UOPIOAUZQKSZRO-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3
    Synonyms: 2,4-dibromo-pentan-3-one | 2,4-dibromopentan-3-one | 2,4-dibromo-3-pentanone | DTXSID50472915 | 2,4-Dibromo-3-pentano...
  3. 1,1,1,3,3,3-Hexabromoacetone
      Grade & Purity: 
    • ≥97%
    Cas Number: 23162-64-3
    Formula:  C3Br6O        Molecular Weight: 531.46
    IUPAC Name:  1,1,1,3,3,3-hexabromopropan-2-one
    SMILES:  C(=O)(C(Br)(Br)Br)C(Br)(Br)Br
    InChIKey: IHAWQAMKUMLDIT-UHFFFAOYSA-N
    InChI:  InChI=1S/C3Br6O/c4-2(5,6)1(10)3(7,8)9
    Synonyms: J-015017 | 1,1,1,3,3,3-Hexabromoacetone, 97% | 1,1,1,3,3,3-hexabromopropan-2-one | DTXSID00549348 | Brom Pentabromace...
  4. 2,4,4,6-Tetrabromo-2,5-cyclohexadienone
      Grade & Purity: 
    • ≥90%
    Cas Number: 20244-61-5        Compound CID:  88433
    Formula:  C6H2Br4O        Molecular Weight: 409.7
    IUPAC Name:  2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
    SMILES:  C1=C(C(=O)C(=CC1(Br)Br)Br)Br
    InChIKey: NJQJGRGGIUNVAB-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
    Synonyms: s12013 | 2,4,4,6-Tetrabromo-2,5-cyclohexadienone, 90% | EINECS 243-638-7 | AM85657 | FT-0609771 | 2,4,4,6-tetrabromo-...
  5. 1,1,1-Trifluoro-3-methylbutan-2-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 382-03-6        Compound CID:  238398
    Formula:  C5H7F3O        Molecular Weight: 140.11
    IUPAC Name:  1,1,1-trifluoro-3-methylbutan-2-one
    SMILES:  CC(C)C(=O)C(F)(F)F
    InChIKey: NLCCAFQWEKMQLM-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3
    Synonyms: Q27160818 | EN300-1235006 | 1,1,1-Trifluoro-3-methylbutan-2-one, 97% | CHEBI:88832 | FT-0684559 | 2-Butanone,1,1,1-tr...
  6. 2,4-Dibromo-2,4-dimethyl-3-pentanone
      Grade & Purity: 
    • ≥97%
    Cas Number: 17346-16-6
    Formula:  BrC(CH3)2COC(CH3)2Br        Molecular Weight: 271.98
    IUPAC Name:  2,4-dibromo-2,4-dimethylpentan-3-one
    SMILES:  CC(C)(C(=O)C(C)(C)Br)Br
    InChIKey: SWSOAIMZWLDPST-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H12Br2O/c1-6(2,8)5(10)7(3,4)9/h1-4H3
    Synonyms: FT-0609977 | NSC120442 | NSC-120442 | 3-Pentanone,2,4-dibromo-2,4-dimethyl- | 2,4-dibromo-2,4-dimethylpentan-3-one | ...
  7. AACOCF3 (Arachidonyl trifluoromethyl ketone)
      Grade & Purity: 
    • Moligand™
    • ≥98%
    • 10 mg/mL in ethanol
    Cas Number: 149301-79-1
    Formula:  C21H31F3O        Molecular Weight: 356.47
    IUPAC Name:  (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
    SMILES:  CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F
    InChIKey: PLWROONZUDKYKG-DOFZRALJSA-N
    InChI:  InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12show more
    Synonyms: arachidonyl trifluoromethyl ketone | (6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one | SR-0100094655...
  8. 5-Acetoxy-3-chloro-2-pentanone
      Grade & Purity: 
    • ≥95%
    Cas Number: 13051-49-5
    Formula:  C7H11ClO3        Molecular Weight: 178.61
    IUPAC Name:  (3-chloro-4-oxopentyl) acetate
    SMILES:  CC(=O)C(CCOC(=O)C)Cl
    InChIKey: LQKQGYIKTRJVJF-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3
    Synonyms: AS-17847 | 2-Pentanone, 3-chloro-5-hydroxy-, acetate | J-005819 | 2-chloro-3-oxopentylacetate | (3-chloro-4-oxopentyl...
  9. 2-Bromocyclohexanone
      Grade & Purity: 
    • ≥95%
    Cas Number: 822-85-5
    Formula:  C6H9BrO        Molecular Weight: 177.04
    IUPAC Name:  2-bromocyclohexan-1-one
    SMILES:  C1CCC(=O)C(C1)Br
    InChIKey: KDXYEWRAWRZXFT-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
    Synonyms: KDXYEWRAWRZXFT-UHFFFAOYSA-N | 2-bromo-cyclohexan-1-one | 2-Bromocyclohexan-1-one | SCHEMBL918055 | AS-38659 | cyclohe...
  10. 3-Bromo-3-methyl-2-butanone
      Grade & Purity: 
    • ≥96%(GC)
    Cas Number: 2648-71-7
    Formula:  C5H9BrO        Molecular Weight: 165.03
    IUPAC Name:  3-bromo-3-methylbutan-2-one
    SMILES:  CC(=O)C(C)(C)Br
    InChIKey: XHCWDDGZFBAXRT-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H9BrO/c1-4(7)5(2,3)6/h1-3H3
    Synonyms: 1-Bromo-1-methylethyl Methyl Ketone | DTXSID50322805 | SY052861 | AKOS004909869 | SCHEMBL1370508 | 3-Bromo-3-methyl-2...
  11. 3-Bromo-1,1,1-trifluorobutan-2-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 382-01-4
    Formula:  C4H4BrF3O        Molecular Weight: 205
    IUPAC Name:  3-bromo-1,1,1-trifluorobutan-2-one
    SMILES:  CC(C(=O)C(F)(F)F)Br
    InChIKey: MHSGADWWPRDQNH-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H4BrF3O/c1-2(5)3(9)4(6,7)8/h2H,1H3
    Synonyms: 3-bromo-1,1,1-trifluorobutan-2-one|382-01-4|3-Bromo-1,1,1-trifluoro-2-butanone|2-Butanone, 3-bromo-1,1,1-trifluoro-|3...
  12. 3-Bromo-1,1,1-trifluoroacetone
      Grade & Purity: 
    • ≥97%
    Cas Number: 431-35-6
    Formula:  C3H2BrF3O        Molecular Weight: 190.95
    IUPAC Name:  3-bromo-1,1,1-trifluoropropan-2-one
    SMILES:  C(C(=O)C(F)(F)F)Br
    InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
    InChI:  InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
    Synonyms: 3-Bromo-1,1,1-trifluoroacetone, 98% | 3,3-Dimethyl-1-(4-nitrophenyl)triazene | 1,1,1-TRIFLUORO-3-BROMOPROPANONE | FT-...
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