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Phthalic acid and derivatives

Organic compounds that consist of benzoic acid with an additional carboxylic acid substitution, both groups are located in adjacent carbon atoms; includes compounds that are directly derived from phthalic acid.
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31
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2-Nitroterephthalic acid 4-methyl ester, 97%

CAS: 55737-66-1 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD06203344 InChI Key: VULISSQANNKDCH-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester PubChem CID: 21906474 SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 21906474
CAS 55737-66-1
Molecular Weight (g/mol) 225.156
MDL Number MFCD06203344
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester
InChI Key VULISSQANNKDCH-UHFFFAOYSA-N
Molecular Formula C9H7NO6
32
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Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5
33
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2-Bromoterephthalic acid, 95%, Thermo Scientific Chemicals

CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.03 MDL Number: MFCD00002403 InChI Key: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonym: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 PubChem CID: 68513 IUPAC Name: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

PubChem CID 68513
CAS 586-35-6
Molecular Weight (g/mol) 245.03
MDL Number MFCD00002403
SMILES C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Synonym bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
IUPAC Name 2-bromoterephthalic acid
InChI Key QPBGNSFASPVGTP-UHFFFAOYSA-N
Molecular Formula C8H5BrO4
34
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2,5-Dihydroxyterephthalic acid, 97%

CAS: 610-92-4 Molecular Formula: C8H6O6 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00132933 InChI Key: OYFRNYNHAZOYNF-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid PubChem CID: 69131 IUPAC Name: 2,5-dihydroxyterephthalic acid SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O

PubChem CID 69131
CAS 610-92-4
Molecular Weight (g/mol) 198.13
MDL Number MFCD00132933
SMILES C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
Synonym 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid
IUPAC Name 2,5-dihydroxyterephthalic acid
InChI Key OYFRNYNHAZOYNF-UHFFFAOYSA-N
Molecular Formula C8H6O6
35
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Dimethyl 5-hydroxyisophthalate, 98%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
IUPAC Name dimethyl 5-hydroxybenzene-1,3-dicarboxylate
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5
36
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Thermo Scientific Chemicals 6-Carboxyfluorescein, 96%

CAS: 3301-79-9 Molecular Formula: C21H12O7 Molecular Weight (g/mol): 376.32 MDL Number: MFCD00036873 InChI Key: BZTDTCNHAFUJOG-UHFFFAOYSA-N Synonym: 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504 PubChem CID: 76806 ChEBI: CHEBI:39073 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

PubChem CID 76806
CAS 3301-79-9
Molecular Weight (g/mol) 376.32
ChEBI CHEBI:39073
MDL Number MFCD00036873
SMILES C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI Key BZTDTCNHAFUJOG-UHFFFAOYSA-N
Molecular Formula C21H12O7
37
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3,5-Bis(methoxycarbonyl)benzeneboronic acid, 97%

CAS: 177735-55-6 Molecular Formula: C10H11BO6 Molecular Weight (g/mol): 238.00 MDL Number: MFCD11053854 InChI Key: WEJWFDLAZSVCJK-UHFFFAOYSA-N Synonym: 3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane PubChem CID: 19363104 IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]boronic acid SMILES: COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC

PubChem CID 19363104
CAS 177735-55-6
Molecular Weight (g/mol) 238.00
MDL Number MFCD11053854
SMILES COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC
Synonym 3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane
IUPAC Name [3,5-bis(methoxycarbonyl)phenyl]boronic acid
InChI Key WEJWFDLAZSVCJK-UHFFFAOYSA-N
Molecular Formula C10H11BO6
38

Dimethyl Terephthalate 99.0+%, TCI America™

CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 IUPAC Name: 1,4-dimethyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC

PubChem CID 8441
CAS 120-61-6
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008440
SMILES COC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate
IUPAC Name 1,4-dimethyl benzene-1,4-dicarboxylate
InChI Key WOZVHXUHUFLZGK-UHFFFAOYSA-N
Molecular Formula C10H10O4
39

Dimethyl Isophthalate 99.0+%, TCI America™

CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: 1,3-dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

PubChem CID 15088
CAS 1459-93-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008433
SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
Synonym dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
IUPAC Name 1,3-dimethyl benzene-1,3-dicarboxylate
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
40

Diallyl Terephthalate 98.0+%, TCI America™

CAS: 1026-92-2 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00080462 InChI Key: ZDNFTNPFYCKVTB-UHFFFAOYSA-N Synonym: Terephthalic Acid Diallyl Ester PubChem CID: 66102 IUPAC Name: bis(prop-2-enyl) benzene-1,4-dicarboxylate SMILES: C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C

PubChem CID 66102
CAS 1026-92-2
Molecular Weight (g/mol) 246.262
MDL Number MFCD00080462
SMILES C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C
Synonym Terephthalic Acid Diallyl Ester
IUPAC Name bis(prop-2-enyl) benzene-1,4-dicarboxylate
InChI Key ZDNFTNPFYCKVTB-UHFFFAOYSA-N
Molecular Formula C14H14O4
41

Monomethyl 5-Nitroisophthalate 98.0+%, TCI America™

CAS: 1955-46-0 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD00009793 InChI Key: ZCRNIIJXDRYWDU-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate PubChem CID: 74776 SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 74776
CAS 1955-46-0
Molecular Weight (g/mol) 225.156
MDL Number MFCD00009793
SMILES COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate
InChI Key ZCRNIIJXDRYWDU-UHFFFAOYSA-N
Molecular Formula C9H7NO6
42

Diethyl 2,5-Dibromoterephthalate 98.0+%, TCI America™

CAS: 18013-97-3 Molecular Formula: C12H12Br2O4 Molecular Weight (g/mol): 380.032 MDL Number: MFCD12407163 InChI Key: WXRSDHICEYICMV-UHFFFAOYSA-N Synonym: 2,5-Dibromoterephthalic Acid Diethyl Ester PubChem CID: 22146229 IUPAC Name: diethyl 2,5-dibromobenzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br

PubChem CID 22146229
CAS 18013-97-3
Molecular Weight (g/mol) 380.032
MDL Number MFCD12407163
SMILES CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br
Synonym 2,5-Dibromoterephthalic Acid Diethyl Ester
IUPAC Name diethyl 2,5-dibromobenzene-1,4-dicarboxylate
InChI Key WXRSDHICEYICMV-UHFFFAOYSA-N
Molecular Formula C12H12Br2O4
43

Potassium Monomethyl Terephthalate 95.0+%, TCI America™

CAS: 42967-55-5 Molecular Formula: C9H7KO4 Molecular Weight (g/mol): 218.249 MDL Number: MFCD00058989 InChI Key: DWNDFZTVSFSFTB-UHFFFAOYSA-M Synonym: Terephthalic Acid Monomethyl Ester Potassium Salt PubChem CID: 23683753 IUPAC Name: potassium;4-methoxycarbonylbenzoate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+]

PubChem CID 23683753
CAS 42967-55-5
Molecular Weight (g/mol) 218.249
MDL Number MFCD00058989
SMILES COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+]
Synonym Terephthalic Acid Monomethyl Ester Potassium Salt
IUPAC Name potassium;4-methoxycarbonylbenzoate
InChI Key DWNDFZTVSFSFTB-UHFFFAOYSA-M
Molecular Formula C9H7KO4
44

Dimethyl 1,4-Naphthalenedicarboxylate 98.0+%, TCI America™

CAS: 7487-15-2 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD04038075 InChI Key: OCSXMIBZIHMVCP-UHFFFAOYSA-N Synonym: 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 11064621 IUPAC Name: dimethyl naphthalene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC

PubChem CID 11064621
CAS 7487-15-2
Molecular Weight (g/mol) 244.246
MDL Number MFCD04038075
SMILES COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC
Synonym 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester
IUPAC Name dimethyl naphthalene-1,4-dicarboxylate
InChI Key OCSXMIBZIHMVCP-UHFFFAOYSA-N
Molecular Formula C14H12O4
45

Dimethyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate 98.0+%, TCI America™

CAS: 944392-68-1 Molecular Formula: C16H21BO6 Molecular Weight (g/mol): 320.148 MDL Number: MFCD11858596 InChI Key: IGSNWXAGFXHYOG-UHFFFAOYSA-N PubChem CID: 42614529 IUPAC Name: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

PubChem CID 42614529
CAS 944392-68-1
Molecular Weight (g/mol) 320.148
MDL Number MFCD11858596
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
IUPAC Name dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
InChI Key IGSNWXAGFXHYOG-UHFFFAOYSA-N
Molecular Formula C16H21BO6