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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Tetrafluoroterephthalic Acid 97.0+%, TCI America™

CAS: 652-36-8 Molecular Formula: C8H2F4O4 Molecular Weight (g/mol): 238.09 MDL Number: MFCD00012301 InChI Key: WFNRNCNCXRGUKN-UHFFFAOYSA-N PubChem CID: 69549 IUPAC Name: tetrafluorobenzene-1,4-dicarboxylic acid SMILES: OC(=O)C1=C(F)C(F)=C(C(O)=O)C(F)=C1F

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PubChem CID	69549
CAS	652-36-8
Molecular Weight (g/mol)	238.09
MDL Number	MFCD00012301
SMILES	OC(=O)C1=C(F)C(F)=C(C(O)=O)C(F)=C1F
IUPAC Name	tetrafluorobenzene-1,4-dicarboxylic acid
InChI Key	WFNRNCNCXRGUKN-UHFFFAOYSA-N
Molecular Formula	C8H2F4O4

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+]

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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

Monomethyl Terephthalate 98.0+%, TCI America™

CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

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PubChem CID	15513
CAS	1679-64-7
Molecular Weight (g/mol)	180.159
MDL Number	MFCD00002557
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym	4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
IUPAC Name	4-methoxycarbonylbenzoic acid
InChI Key	REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Formula	C9H8O4

Dimethyl Bromoterephthalate 98.0+%, TCI America™

CAS: 18643-86-2 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00060638 InChI Key: VUMPFOPENBVFOF-UHFFFAOYSA-N Synonym: Bromoterephthalic Acid Dimethyl Ester PubChem CID: 87741 IUPAC Name: dimethyl 2-bromobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br

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PubChem CID	87741
CAS	18643-86-2
Molecular Weight (g/mol)	273.082
MDL Number	MFCD00060638
SMILES	COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br
Synonym	Bromoterephthalic Acid Dimethyl Ester
IUPAC Name	dimethyl 2-bromobenzene-1,4-dicarboxylate
InChI Key	VUMPFOPENBVFOF-UHFFFAOYSA-N
Molecular Formula	C10H9BrO4

Sodium Dimethyl 5-Sulfoisophthalate 98.0+%, TCI America™

CAS: 3965-55-7 Molecular Formula: C10H9NaO7S Molecular Weight (g/mol): 296.225 MDL Number: MFCD00007493 InChI Key: LLHSEQCZSNZLRI-UHFFFAOYSA-M Synonym: sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech PubChem CID: 23675796 IUPAC Name: sodium;3,5-bis(methoxycarbonyl)benzenesulfonate SMILES: COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

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PubChem CID	23675796
CAS	3965-55-7
Molecular Weight (g/mol)	296.225
MDL Number	MFCD00007493
SMILES	COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]
Synonym	sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech
IUPAC Name	sodium;3,5-bis(methoxycarbonyl)benzenesulfonate
InChI Key	LLHSEQCZSNZLRI-UHFFFAOYSA-M
Molecular Formula	C10H9NaO7S

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-]

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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

Dimethyl 5-Nitroisophthalate, TCI America™

CAS: 13290-96-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008429 InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N Synonym: dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester PubChem CID: 83316 IUPAC Name: 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O

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PubChem CID	83316
CAS	13290-96-5
Molecular Weight (g/mol)	239.18
MDL Number	MFCD00008429
SMILES	COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O
Synonym	dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester
IUPAC Name	1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate
InChI Key	GGTSJKFPGKFLCZ-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

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

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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

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

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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

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

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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

1-Methyl 2-Aminoterephthalate 98.0+%, TCI America™

CAS: 60728-41-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00189374 InChI Key: QKOKLMFCKLEFDV-UHFFFAOYSA-N Synonym: 3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester PubChem CID: 5235500 IUPAC Name: 3-amino-4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)N

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PubChem CID	5235500
CAS	60728-41-8
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00189374
SMILES	COC(=O)C1=C(C=C(C=C1)C(=O)O)N
Synonym	3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester
IUPAC Name	3-amino-4-methoxycarbonylbenzoic acid
InChI Key	QKOKLMFCKLEFDV-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

Monomethyl Isophthalate 97.0+%, TCI America™

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

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PubChem CID	601880
CAS	1877-71-0
Molecular Weight (g/mol)	180.159
MDL Number	MFCD00029972
SMILES	COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym	3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name	3-methoxycarbonylbenzoic acid
InChI Key	WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

2,5-Dichloroterephthalic Acid 97.0+%, TCI America™

CAS: 13799-90-1 Molecular Formula: C8H4Cl2O4 MDL Number: MFCD00058982

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CAS	13799-90-1
MDL Number	MFCD00058982
Molecular Formula	C8H4Cl2O4

2,5-Dibromoterephthalic Acid 98.0+%, TCI America™

CAS: 13731-82-3 Molecular Formula: C8H4Br2O4 Molecular Weight (g/mol): 323.92 MDL Number: MFCD00204593 InChI Key: VUTICWRXMKBOSF-UHFFFAOYSA-N Synonym: 2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t PubChem CID: 83690 IUPAC Name: 2,5-dibromobenzene-1,4-dicarboxylic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O

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PubChem CID	83690
CAS	13731-82-3
Molecular Weight (g/mol)	323.92
MDL Number	MFCD00204593
SMILES	OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O
Synonym	2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t
IUPAC Name	2,5-dibromobenzene-1,4-dicarboxylic acid
InChI Key	VUTICWRXMKBOSF-UHFFFAOYSA-N
Molecular Formula	C8H4Br2O4

Dimethyl 4-Acetoxyisophthalate 98.0+%, TCI America™

CAS: 71932-29-1 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.222 MDL Number: MFCD00143241 InChI Key: MZBAKPXGINZGLK-UHFFFAOYSA-N Synonym: 4-Acetoxyisophthalic Acid Dimethyl Ester PubChem CID: 23512524 IUPAC Name: dimethyl 4-acetyloxybenzene-1,3-dicarboxylate SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)OC)C(=O)OC

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PubChem CID	23512524
CAS	71932-29-1
Molecular Weight (g/mol)	252.222
MDL Number	MFCD00143241
SMILES	CC(=O)OC1=C(C=C(C=C1)C(=O)OC)C(=O)OC
Synonym	4-Acetoxyisophthalic Acid Dimethyl Ester
IUPAC Name	dimethyl 4-acetyloxybenzene-1,3-dicarboxylate
InChI Key	MZBAKPXGINZGLK-UHFFFAOYSA-N
Molecular Formula	C12H12O6

Phthalic acid and derivatives

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