Phthalate esters

Description:

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

Ancestors:

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

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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2-Hydroxy-5-(methoxycarbonyl)benzoic acid
- ≥97%
Cas Number: 79128-78-2 Compound CID: 12717060

Formula: C₉H₈O₅ Molecular Weight: 196.16

IUPAC Name: 2-hydroxy-5-methoxycarbonylbenzoic acid

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

InChIKey: LIQLYTSJSBMCAH-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O5/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4,10H,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-Nitroisophthalate
- ≥97%
Cas Number: 57052-99-0 Compound CID: 12217542

Formula: C₁₀H₉NO₆ Molecular Weight: 239.18

IUPAC Name: dimethyl 2-nitrobenzene-1,3-dicarboxylate

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

InChIKey: UZMFVOACDBUXRK-UHFFFAOYSA-N

InChI: InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(10(13)17-2)8(6)11(14)15/h3-5H,1-2H3
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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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Diethyl 5-hydroxyisophthalate
- ≥95%
Cas Number: 39630-68-7 Compound CID: 606456

Formula: C₁₂H₁₄O₅ Molecular Weight: 238.24

IUPAC Name: diethyl 5-hydroxybenzene-1,3-dicarboxylate

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

InChIKey: PUZBTHGPBGQFLW-UHFFFAOYSA-N

InChI: InChI=1S/C12H14O5/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3
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Diethyl 5-Bromoisophthalate
- ≥98%
Cas Number: 127437-29-0 Compound CID: 182853

Formula: C₁₂H₁₃BrO₄ Molecular Weight: 301.13

IUPAC Name: diethyl 5-bromobenzene-1,3-dicarboxylate

SMILES: CCOC(=O)C1=CC(=CC(=C1)Br)C(=O)OCC

InChIKey: ZDFHATYWKREQJF-UHFFFAOYSA-N

InChI: InChI=1S/C12H13BrO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4H2,1-2H3
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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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Dibutyl isophthalate
- ≥95%
Cas Number: 3126-90-7 Compound CID: 18405

Formula: C₁₆H₂₂O₄ Molecular Weight: 278.34

IUPAC Name: dibutyl benzene-1,3-dicarboxylate

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

InChIKey: GOPWOUQJIMLDDM-UHFFFAOYSA-N

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