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Fluorobenzenes

Description:

Compounds containing one or more fluorine atoms attached to a benzene ring.
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  1. tert-Butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl)carbamate
      Grade & Purity: 
    • ≥98%
    Cas Number: 1172623-99-2        Compound CID:  86713019
    IUPAC Name:  tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamate
    SMILES:  CC(C)(C)OC(=O)NC1CC(COC1C2=C(C=CC(=C2)F)F)O
    InChIKey: RYDSJJXCDQFTKF-INPHSSGZSA-N
    InChI:  InChI=1S/C16H21F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,10,13-14,20H,7-8H2,1-3H3,(H,19,21)/t10?,13-,14+/m0/s1
  2. potassium (3-chloro-4-fluorophenyl)(trifluoro)borate(1-)
      Grade & Purity: 
    • ≥98%
    Cas Number: 850623-59-5        Compound CID:  23716863
    Formula:  C6H3BClF4K        Molecular Weight: 236.44
    IUPAC Name:  potassium;(3-chloro-4-fluorophenyl)-trifluoroboranuide
    SMILES:  [B-](C1=CC(=C(C=C1)F)Cl)(F)(F)F.[K+]
    InChIKey: YIBSBTTVMHWMNU-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3BClF4.K/c8-5-3-4(7(10,11)12)1-2-6(5)9;/h1-3H;/q-1;+1
  3. Potassium (3,5-difluorophenyl)trifluoroborate
      Grade & Purity: 
    • ≥98%
    Cas Number: 267006-26-8        Compound CID:  23681893
    Formula:  C6H3BF5K        Molecular Weight: 219.99
    IUPAC Name:  potassium;(3,5-difluorophenyl)-trifluoroboranuide
    SMILES:  [B-](C1=CC(=CC(=C1)F)F)(F)(F)F.[K+]
    InChIKey: JFSPHPHYZHGKPO-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3BF5.K/c8-5-1-4(7(10,11)12)2-6(9)3-5;/h1-3H;/q-1;+1
  4. A-967079
      Grade & Purity: 
    • ≥98%
    Cas Number: 1170613-55-4        Compound CID:  42641861
    Formula:  C12H14FNO        Molecular Weight: 207.24
    IUPAC Name:  (NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
    SMILES:  CCC(=NO)C(=CC1=CC=C(C=C1)F)C
    InChIKey: HKROEBDHHKMNBZ-CHBKHGQFSA-N
    InChI:  InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
  5. 4-(3-fluorophenyl)tetrahydro-2H-pyran-4-carbonitrile
      Grade & Purity: 
    • ≥90%
    Cas Number: 1035261-79-0        Compound CID:  43119033
    Formula:  C12H12FNO        Molecular Weight: 205.232
    IUPAC Name:  4-(3-fluorophenyl)oxane-4-carbonitrile
    SMILES:  C1COCCC1(C#N)C2=CC(=CC=C2)F
    InChIKey: ISKQMVJXZOBQJH-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H12FNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7H2
  6. 4-(2-fluorophenyl)tetrahydro-2H-pyran-4-carbonitrile
      Grade & Purity: 
    • ≥90%
    Cas Number: 859164-45-7
    Formula:  C12H12FNO        Molecular Weight: 205.09
    SMILES:  C1COCCC1(C#N)C2=CC=CC=C2F
    InChIKey: JOYSNTZJNYCWMW-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H12FNO/c13-11-4-2-1-3-10(11)12(9-14)5-7-15-8-6-12/h1-4H,5-8H2
  7. 2-Bromo-1-chloro-3,4-difluorobenzene
      Grade & Purity: 
    • ≥98%
    Cas Number: 1208077-25-1        Compound CID:  50998371
    Formula:  C6H2BrClF2        Molecular Weight: 227.43
    IUPAC Name:  2-bromo-1-chloro-3,4-difluorobenzene
    SMILES:  C1=CC(=C(C(=C1F)F)Br)Cl
    InChIKey: MWGRISBCIIDKSD-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H2BrClF2/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
  8. 1,4-Dibromo-2-fluoro-3-methylbenzene
      Grade & Purity: 
    • ≥98%
    Cas Number: 1000576-44-2        Compound CID:  44891117
    Formula:  C7H5Br2F        Molecular Weight: 267.923
    IUPAC Name:  1,4-dibromo-2-fluoro-3-methylbenzene
    SMILES:  CC1=C(C=CC(=C1F)Br)Br
    InChIKey: DIHFJZRFCAKXCU-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H5Br2F/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
  9. 1,5-Dibromo-2,3-difluorobenzene
      Grade & Purity: 
    • ≥95%
    Cas Number: 811713-09-4        Compound CID:  44891217
    Formula:  C6H2Br2F2        Molecular Weight: 271.887
    IUPAC Name:  1,5-dibromo-2,3-difluorobenzene
    SMILES:  C1=C(C=C(C(=C1F)F)Br)Br
    InChIKey: ZZWOIZSMVMYOEW-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H2Br2F2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
  10. 1-(3,4-difluorophenyl)cyclopropane-1-carbonitrile
      Grade & Purity: 
    • ≥90%
    Cas Number: 186347-65-9
    Formula:  C10H7F2N        Molecular Weight: 179.17
    SMILES:  C1CC1(C#N)C2=CC(=C(C=C2)F)F
    InChIKey: BUYXKEPFKQYIEW-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H7F2N/c11-8-2-1-7(5-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4H2
  11. 1-Chloro-2,3,4-trifluorobenzene
      Grade & Purity: 
    • ≥95%
    Cas Number: 36556-42-0        Compound CID:  142097
    Formula:  C6H2ClF3        Molecular Weight: 166.53
    IUPAC Name:  1-chloro-2,3,4-trifluorobenzene
    SMILES:  C1=CC(=C(C(=C1F)F)F)Cl
    InChIKey: QEIDAZALPGAFIS-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H2ClF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
  12. 1-(3-fluorophenyl)cyclobutane-1-carbonitrile
      Grade & Purity: 
    • ≥90%
    Cas Number: 179411-83-7
    Formula:  C11H10FN        Molecular Weight: 175.21
    SMILES:  C1CC(C1)(C#N)C2=CC(=CC=C2)F
    InChIKey: GHKFTXRURFRWJR-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H10FN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6H2
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