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Phthalate esters
Description:
Ester derivatives of phthalic acids, which are based on a benzene dicarboxylic acid skeleton.
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DacthalCas Number: 1861-32-1 EC Number: 217-464-7Formula: C10H6C14O4 Molecular Weight: 331.96IUPAC Name: dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylateSMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)ClInChIKey: NPOJQCVWMSKXDN-UHFFFAOYSA-NInChI: InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3Synonyms: DIMETHYL 2,3,5,6-TETRACHLOROTEREPHTHALATE Chlorthal dimethyl Dimethyl 2,3,5,6-tetra-chloro-1,4-benzenedicarboxylate DCPA -
Bis(2-hydroxyethyl) TerephthalateCas Number: 959-26-2Formula: C12H14O6 Molecular Weight: 254.24IUPAC Name: bis(2-hydroxyethyl) benzene-1,4-dicarboxylateSMILES: C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOInChIKey: QPKOBORKPHRBPS-UHFFFAOYSA-NInChI: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2Synonyms: C8X | SCHEMBL26378 | Terephthalic acid, bis(2-hydroxyethyl) ester | ETHYLENE GLYCOL, TEREPHTHALATE (2:1) | TEREPHTHAL...
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4-((2-Hydroxyethoxy)carbonyl)benzoic acidCas Number: 1137-99-1Formula: C10H10O5 Molecular Weight: 210.18IUPAC Name: 4-(2-hydroxyethoxycarbonyl)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)C(=O)OCCOInChIKey: BCBHDSLDGBIFIX-UHFFFAOYSA-NInChI: InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)Synonyms: C21450 | Q27225245 | beta-hydroxyethyl terephthalate | DTXSID60622186 | 4-((2-Hydroxyethoxy)carbonyl)benzoic acid | 8...
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2-Hydroxyethyl Methyl TerephthalateCas Number: 3645-00-9Formula: C11H12O5 Molecular Weight: 224.21IUPAC Name: 4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylateSMILES: COC(=O)C1=CC=C(C=C1)C(=O)OCCOInChIKey: DJQMYWWZWUOCBQ-UHFFFAOYSA-NInChI: InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3Synonyms: Terephthalic Acid 2-Hydroxyethyl Methyl Ester
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3,5-Bis[3,5-bis(methoxycarbonyl)phenoxymethyl]phenolCas Number: 186605-76-5Formula: C28H26O11 Molecular Weight: 538.51IUPAC Name: dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylateSMILES: COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OCInChIKey: USUINPRIDFWVMZ-UHFFFAOYSA-NInChI: show more Synonyms: B2865 | dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylate | ...
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mono-Methyl terephthalateCas Number: 1679-64-7 EC Number: 216-849-7Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC=C(C=C1)C(=O)OInChIKey: REIDAMBAPLIATC-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)Synonyms: BCP08782 | Acetic acid, (4-carboxyphenyl)- | A3718 | Q27278662 | W-107904 | NSC210838 | NSC-210838 | 4Methoxycarbonyl...
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[3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride)Cas Number: 932378-94-4Formula: C12H15BO6 Molecular Weight: 266.06IUPAC Name: [3,5-bis(ethoxycarbonyl)phenyl]boronic acidSMILES: B(C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC)(O)OInChIKey: XXBGYFGJSMAOSZ-UHFFFAOYSA-NInChI: InChI=1S/C12H15BO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7,16-17H,3-4H2,1-2H3Synonyms: C12H15BO6 | (3,5-Bis(ethoxycarbonyl)phenyl)boronic acid (contains various amounts of anhydride) | B6032 | (3,5-bis(et...
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Dimethyl 5-ethynylisophthalateCas Number: 313648-56-5Formula: C12H10O4 Molecular Weight: 218.21IUPAC Name: dimethyl 5-ethynylbenzene-1,3-dicarboxylateSMILES: COC(=O)C1=CC(=CC(=C1)C#C)C(=O)OCInChIKey: RSSODPUFUQKWIK-UHFFFAOYSA-NInChI: InChI=1S/C12H10O4/c1-4-8-5-9(11(13)15-2)7-10(6-8)12(14)16-3/h1,5-7H,2-3H3Synonyms: Dimethyl 5-ethynylbenzene-1,3-dioate；Dimethyl 5-acetylenylphenyl-1,3-dicarboxylate
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3-Bromo-5-(methoxycarbonyl)benzoic acidCas Number: 161796-10-7Formula: C9H7BrO4 Molecular Weight: 259.05IUPAC Name: 3-bromo-5-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)BrInChIKey: QIXJVAGZPJKDGY-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)Synonyms: 3-Bromo-5-(methoxycarbonyl)benzoic acid|161796-10-7|3-(Methoxycarbonyl)-5-bromobenzoic acid|3-bromo-5-methoxycarbonyl...
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3-Amino-5-(ethoxycarbonyl)benzoic acidCas Number: 1312425-07-2Formula: C10H11NO4 Molecular Weight: 209.2IUPAC Name: 3-amino-5-ethoxycarbonylbenzoic acidSMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)O)NInChIKey: FWJOEEOPJUMDND-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO4/c1-2-15-10(14)7-3-6(9(12)13)4-8(11)5-7/h3-5H,2,11H2,1H3,(H,12,13)
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3-(Methoxycarbonyl)-4-methylbenzoic acidCas Number: 167300-06-3Formula: C10H10O4 Molecular Weight: 194.18IUPAC Name: 3-methoxycarbonyl-4-methylbenzoic acidSMILES: CC1=C(C=C(C=C1)C(=O)O)C(=O)OCInChIKey: FLYZXCACBSFFHE-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-6-3-4-7(9(11)12)5-8(6)10(13)14-2/h3-5H,1-2H3,(H,11,12)Synonyms: 3-(Methoxycarbonyl)-4-methylbenzoic acid|167300-06-3|Methyl-2-methyl-5-carboxylicbenzoic acid|3-methoxycarbonyl-4-met...
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3,5-bis(methoxycarbonyl)phenylboronic acid pinacol esterCas Number: 944392-68-1Formula: C16H21BO6 Molecular Weight: 320.15IUPAC Name: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OCInChIKey: IGSNWXAGFXHYOG-UHFFFAOYSA-NInChI: InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3Synonyms: 1,3-DIMETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENE-1,3-DICARBOXYLATE | MFCD11858596 | dimethyl 5-(4,...
