p-Phthalate esters

Description:

Ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzoic acids and derivatives ⮕ Phthalic acid and derivatives ⮕ Phthalate esters ⮕ p-Phthalate esters

2-Bromo-4-(methoxycarbonyl)benzoic acid
- ≥97%
Cas Number: 911799-84-3 Compound CID: 53417931

Formula: C₉H₇BrO₄ Molecular Weight: 259.05

IUPAC Name: 2-bromo-4-methoxycarbonylbenzoic acid

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)Br

InChIKey: NVIVSQBLUICPCL-UHFFFAOYSA-N

InChI: InChI=1S/C9H7BrO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
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1，4-Benzenedicarboxylic acid， 1，4-diethenyl ester
- ≥97%
Cas Number: 13846-19-0

Formula: C₁₂H₁₀O₄ Molecular Weight: 218.2054

SMILES: C=COC(=O)C1=CC=C(C=C1)C(=O)OC=C

InChIKey: IHXBXGHGYCSRAP-UHFFFAOYSA-N

InChI: InChI=1S/C12H10O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h3-8H,1-2H2
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Bis(4-hydroxybutyl)terephthalate
- ≥98%
Cas Number: 23358-95-4 Compound CID: 11001391

Formula: C₁₆H₂₂O₆ Molecular Weight: 310.34

IUPAC Name: bis(4-hydroxybutyl) benzene-1,4-dicarboxylate

SMILES: C1=CC(=CC=C1C(=O)OCCCCO)C(=O)OCCCCO

InChIKey: MRLFFZIIRRKXBJ-UHFFFAOYSA-N

InChI: InChI=1S/C16H22O6/c17-9-1-3-11-21-15(19)13-5-7-14(8-6-13)16(20)22-12-4-2-10-18/h5-8,17-18H,1-4,9-12H2
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4-(Methoxycarbonyl)-2-nitrobenzoic acid
- ≥95%
Cas Number: 55737-66-1 Compound CID: 21906474

Formula: C₉H₇NO₆ Molecular Weight: 225.15

IUPAC Name: 4-methoxycarbonyl-2-nitrobenzoic acid

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

InChIKey: VULISSQANNKDCH-UHFFFAOYSA-N

InChI: InChI=1S/C9H7NO6/c1-16-9(13)5-2-3-6(8(11)12)7(4-5)10(14)15/h2-4H,1H3,(H,11,12)
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2-fluoro-4-(methoxycarbonyl)benzoic acid
- ≥95%
Cas Number: 314241-04-8 Compound CID: 59295093

Formula: C₉H₇FO₄ Molecular Weight: 198.15

IUPAC Name: 2-fluoro-4-methoxycarbonylbenzoic acid

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)F

InChIKey: XRXCBKITDLPTEF-UHFFFAOYSA-N

InChI: InChI=1S/C9H7FO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
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2-Hydroxy-4-(methoxycarbonyl)benzoic acid
- ≥95%
Cas Number: 29602-00-4 Compound CID: 15294629

Formula: C₉H₈O₅ Molecular Weight: 196.16

IUPAC Name: 2-hydroxy-4-methoxycarbonylbenzoic acid

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)O

InChIKey: GZKDVWHMQIMEQU-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O5/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4,10H,1H3,(H,11,12)
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2-Chloro-4-(methoxycarbonyl)benzoic acid
- ≥95%
Cas Number: 431888-57-2 Compound CID: 14372237

Formula: C₉H₇ClO₄ Molecular Weight: 214.61

IUPAC Name: 2-chloro-4-methoxycarbonylbenzoic acid

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)Cl

InChIKey: ICUITMASTQNLIL-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
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Diisobutyl terephthalate
- ≥97%
Cas Number: 18699-48-4 Compound CID: 29218

Formula: C₁₆H₂₂O₄ Molecular Weight: 278.35

IUPAC Name: bis(2-methylpropyl) benzene-1,4-dicarboxylate

SMILES: CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C

InChIKey: LQKWPGAPADIOSS-UHFFFAOYSA-N

InChI: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
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Diisopropyl terephthalate
- ≥97%
Cas Number: 6422-84-0 Compound CID: 201631

Formula: C₁₄H₁₈O₄ Molecular Weight: 250.29

IUPAC Name: dipropan-2-yl benzene-1,4-dicarboxylate

SMILES: CC(C)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)C

InChIKey: HWUDSKSILZNHRX-UHFFFAOYSA-N

InChI: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-5-7-12(8-6-11)14(16)18-10(3)4/h5-10H,1-4H3
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Dimethyl 2-(Phenylsulfonamido)terephthalate
- ≥95%
Cas Number: 321531-64-0 Compound CID: 711163

Formula: C₁₆H₁₅NO₆S Molecular Weight: 349.4

IUPAC Name: dimethyl 2-(benzenesulfonamido)benzene-1,4-dicarboxylate

SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2

InChIKey: NIAIIHQWIMCYDK-UHFFFAOYSA-N

InChI: InChI=1S/C16H15NO6S/c1-22-15(18)11-8-9-13(16(19)23-2)14(10-11)17-24(20,21)12-6-4-3-5-7-12/h3-10,17H,1-2H3
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Diethyl 2，5-diaminoterephthalate
- ≥95%
Cas Number: 15403-46-0 Compound CID: 330097

Formula: C₁₂H₁₆N₂O₄ Molecular Weight: 252.27

IUPAC Name: diethyl 2,5-diaminobenzene-1,4-dicarboxylate

SMILES: CCOC(=O)C1=CC(=C(C=C1N)C(=O)OCC)N

InChIKey: KMKCBOQRRWZRII-UHFFFAOYSA-N

InChI: InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3
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Dibutyl Terephthalate
- ≥95%
Cas Number: 1962-75-0 Compound CID: 16066

Formula: C₁₆H₂₂O₄ Molecular Weight: 278.34

IUPAC Name: dibutyl benzene-1,4-dicarboxylate

SMILES: CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC

InChIKey: LQLQDKBJAIILIQ-UHFFFAOYSA-N

InChI: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
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