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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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4-(Ethoxycarbonyl)benzoic acidCas Number: 713-57-5 Compound CID: 164720Formula: C10H10O4 Molecular Weight: 194.19IUPAC Name: 4-ethoxycarbonylbenzoic acidSMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OInChIKey: ADFVYWCDAKWKPH-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12) -
3-(Tert-butoxycarbonyl)benzoic acidCas Number: 33704-19-7 Compound CID: 2760951Formula: C12H14O4 Molecular Weight: 222.24IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acidSMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)C(=O)OInChIKey: OFILKMBFUQQLSU-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h4-7H,1-3H3,(H,13,14)
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2-Ethylhexyl methyl terephthalateCas Number: 63468-13-3 Compound CID: 3017423Formula: C17H24O4 Molecular Weight: 292.4IUPAC Name: 4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylateSMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCInChIKey: KHDNBLKBTBOSDJ-UHFFFAOYSA-NInChI: InChI=1S/C17H24O4/c1-4-6-7-13(5-2)12-21-17(19)15-10-8-14(9-11-15)16(18)20-3/h8-11,13H,4-7,12H2,1-3H3
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1，4-Benzenedicarboxylic acid， ethyl methyl esterCas Number: 22163-52-6 Compound CID: 596033Formula: C11H12O4 Molecular Weight: 208.21IUPAC Name: 4-O-ethyl 1-O-methyl benzene-1,4-dicarboxylateSMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCInChIKey: SGPZSOQUJLFTMQ-UHFFFAOYSA-NInChI: InChI=1S/C11H12O4/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3
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3-bromo-4-(methoxycarbonyl)benzoic acidCas Number: 264272-63-1 Compound CID: 18673026IUPAC Name: 3-bromo-4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)BrInChIKey: ZJGOZXACDNCTSA-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
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2-fluoro-4-methoxycarbonyl-benzoic acidCas Number: 314241-04-8 Compound CID: 59295093Formula: C9H7FO4 Molecular Weight: 198.15IUPAC Name: 2-fluoro-4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)FInChIKey: XRXCBKITDLPTEF-UHFFFAOYSA-NInChI: 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-chloro-4-(methoxycarbonyl)benzoic acidCas Number: 431888-57-2 Compound CID: 14372237Formula: C9H7ClO4 Molecular Weight: 214.61IUPAC Name: 2-chloro-4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)ClInChIKey: ICUITMASTQNLIL-UHFFFAOYSA-NInChI: 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-amino-5-methoxycarbonyl-benzoic acidCas Number: 63746-25-8 Compound CID: 13105036Formula: C9H9NO4 Molecular Weight: 195.17SMILES: COC(=O)C1=CC(=C(C=C1)N)C(=O)OInChIKey: XIGSLVIYSSSYNA-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO4/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4H,10H2,1H3,(H,11,12)
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dimethyl 2-fluorobenzene-1,3-dicarboxylateCas Number: 723334-03-0 Compound CID: 2805703Formula: C10H9FO4 Molecular Weight: 212.17SMILES: COC(=O)C1=C(C(=CC=C1)C(=O)OC)FInChIKey: OSPJANZFCZYKEH-UHFFFAOYSA-NInChI: InChI=1S/C10H9FO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3
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4-methoxycarbonyl-3-methyl-benzoic acidFormula: C10H10O4 Molecular Weight: 194.18IUPAC Name: 4-methoxycarbonyl-3-methylbenzoic acidSMILES: CC1=C(C=CC(=C1)C(=O)O)C(=O)OCInChIKey: HFCRSABBNBNZNG-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-6-5-7(9(11)12)3-4-8(6)10(13)14-2/h3-5H,1-2H3,(H,11,12)Synonyms: 2-Methyl-1,4-benzenedicarboxylic acid 1-methyl ester | SY235806 | 2-Methyl-terephthalic acid 1-methyl ester | SCHEMBL...
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Dimethyl 4-aminoisophthalateCas Number: 63746-12-3Formula: C10H11NO4 Molecular Weight: 209.2IUPAC Name: dimethyl 4-aminobenzene-1,3-dicarboxylateSMILES: COC(=O)C1=CC(=C(C=C1)N)C(=O)OCInChIKey: QWENMFNFBJHLTE-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5H,11H2,1-2H3Synonyms: DTXSID00455051 | AB9123 | Dimethyl- 4-amino-isophthalate | Dimethyl 4-aminoisophthalate | QWENMFNFBJHLTE-UHFFFAOYSA-N...
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Dimethyl 5-iodoisophthalateCas Number: 51839-15-7Formula: C10H9IO4 Molecular Weight: 320.08IUPAC Name: dimethyl 5-iodobenzene-1,3-dicarboxylateSMILES: COC(=O)C1=CC(=CC(=C1)I)C(=O)OCInChIKey: DIAONVDUSXRXCE-UHFFFAOYSA-NInChI: InChI=1S/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3Synonyms: C10H9IO4 | 5-Iodoisophthalic acid dimethyl ester | 5-Iodo-isophthalic acid dimethyl ester | GS-3041 | BCP26804 | AB91...
