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M-phthalic acid and derivatives

Description:

Aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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  1. 5-Ethoxyisophthalic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 203626-61-3        Compound CID:  45094206
    Formula:  C10H10O5        Molecular Weight: 210.18
    IUPAC Name:  5-ethoxybenzene-1,3-dicarboxylic acid
    SMILES:  CCOC1=CC(=CC(=C1)C(=O)O)C(=O)O
    InChIKey: WQONHTZYNXJZIC-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10O5/c1-2-15-8-4-6(9(11)12)3-7(5-8)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
  2. 5-(TrifluoroMethyl)benzene-1,3-dicarboxylic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 117186-03-5        Compound CID:  22140230
    Formula:  C9H5F3O4        Molecular Weight: 234.13
    IUPAC Name:  5-(trifluoromethyl)benzene-1,3-dicarboxylic acid
    SMILES:  C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C(=O)O
    InChIKey: MFRAUNNXQCRKQI-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H5F3O4/c10-9(11,12)6-2-4(7(13)14)1-5(3-6)8(15)16/h1-3H,(H,13,14)(H,15,16)
  3. 2-Methylisophthalic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 15120-47-5        Compound CID:  11446681
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name:  2-methylbenzene-1,3-dicarboxylic acid
    SMILES:  CC1=C(C=CC=C1C(=O)O)C(=O)O
    InChIKey: AIDLAEPHWROGFI-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
  4. 2-bromobenzene-1,3-dicarboxylic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 22433-91-6        Compound CID:  329530
    Formula:  C8H5BrO4        Molecular Weight: 245.03
    IUPAC Name:  2-bromobenzene-1,3-dicarboxylic acid
    SMILES:  C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)O
    InChIKey: LOICBODWTPYJIW-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5BrO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
  5. 2-Hydroxybenzene-1,3-dicarboxylic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 606-19-9        Compound CID:  11812
    Formula:  C8H6O5        Molecular Weight: 182.13
    IUPAC Name:  2-hydroxybenzene-1,3-dicarboxylic acid
    SMILES:  C1=CC(=C(C(=C1)C(=O)O)O)C(=O)O
    InChIKey: WVDGHGISNBRCAO-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
  6. 5-Iodoisophthalic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 51839-16-8        Compound CID:  103988
    Formula:  C8H5IO4        Molecular Weight: 292.03
    IUPAC Name:  5-iodobenzene-1,3-dicarboxylic acid
    SMILES:  C1=C(C=C(C=C1C(=O)O)I)C(=O)O
    InChIKey: QMDFYAWUWIIQFM-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
    Synonyms: 5-Iodobenzene-1,3-dicarboxylic acid
  7. 4-chloroisophthalic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 2845-85-4        Compound CID:  349658
    Formula:  C8H5ClO4        Molecular Weight: 200.58
    IUPAC Name:  4-chlorobenzene-1,3-dicarboxylic acid
    SMILES:  C1=CC(=C(C=C1C(=O)O)C(=O)O)Cl
    InChIKey: APLYBKHRTXFIBT-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
  8. 4-Methylisophthalic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 3347-99-7        Compound CID:  595750
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name:  4-methylbenzene-1,3-dicarboxylic acid
    SMILES:  CC1=C(C=C(C=C1)C(=O)O)C(=O)O
    InChIKey: PNWSHHILERSSLF-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
  9. 4-Fluoroisophthalic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 327-95-7        Compound CID:  242256
    Formula:  C8H5FO4        Molecular Weight: 184.12
    IUPAC Name:  4-fluorobenzene-1,3-dicarboxylic acid
    SMILES:  C1=CC(=C(C=C1C(=O)O)C(=O)O)F
    InChIKey: OPWLKVOLSUNGEI-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
  10. 5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acid
    Cas Number: 89626-10-8        Compound CID:  274548
    Formula:  C8H8N2O6S        Molecular Weight: 260.23
    IUPAC Name:  5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acid
    SMILES:  C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)O
    InChIKey: UWALZFACAZHTQM-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H8N2O6S/c9-10-17(15,16)6-2-4(7(11)12)1-5(3-6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)
    Synonyms: 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acid | 5-(Hydrazinylsulfonyl)isophthalic acid | 5-(hydrazinosulfonyl)is...
  11. 5-Cyano-1,3-benzenedicarboxylic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 23341-13-1
    Formula:  C9H5NO4        Molecular Weight: 191.14
    IUPAC Name:  5-cyanobenzene-1,3-dicarboxylic acid
    SMILES:  C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N
    InChIKey: YKADUTAIRWMMFI-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)
    Synonyms: 1,3-Benzenedicarboxylic acid, 5-cyano- | 5-Cyano-1,3-benzenedicarboxylic acid, >=95% | EINECS 245-594-4 | SCHEMBL2511...
  12. 5,5',5''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triisophthalic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 776242-98-9        Compound CID:  57252878
    Formula:  C27H18N6O12        Molecular Weight: 618.5
    IUPAC Name:  5-[[4,6-bis(3,5-dicarboxyanilino)-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylic acid
    SMILES:  C1=C(C=C(C=C1C(=O)O)NC2=NC(=NC(=N2)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O)C(=O)O
    InChIKey: DHLQCTZKYCWGKN-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H18N6O12/c34-19(35)10-1-11(20(36)37)5-16(4-10)28-25-31-26(29-17-6-12(21(38)39)2-13(7-17)22(40)41)33-27(32-25)30-18-8-14(23(42)43)3-15(9-18show more
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