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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61 – 75 of 321 results

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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Specifications

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

Diallyl Isophthalate 98.0+%, TCI America™

CAS: 1087-21-4 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00048174 InChI Key: OOORLLSLMPBSPT-UHFFFAOYSA-N Synonym: Isophthalic Acid Diallyl Ester PubChem CID: 66183 IUPAC Name: bis(prop-2-enyl) benzene-1,3-dicarboxylate SMILES: C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

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Specifications

PubChem CID	66183
CAS	1087-21-4
Molecular Weight (g/mol)	246.262
MDL Number	MFCD00048174
SMILES	C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C
Synonym	Isophthalic Acid Diallyl Ester
IUPAC Name	bis(prop-2-enyl) benzene-1,3-dicarboxylate
InChI Key	OOORLLSLMPBSPT-UHFFFAOYSA-N
Molecular Formula	C14H14O4

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

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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Specifications

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

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

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Specifications

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

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

Dimethyl 5-Hydroxyisophthalate 98.0+%, TCI America™

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: 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

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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	1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate
InChI Key	DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula	C10H10O5

Dimethyl Nitroterephthalate 97.0+%, TCI America™

CAS: 5292-45-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008422 InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N Synonym: dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate PubChem CID: 21364 IUPAC Name: 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O

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PubChem CID	21364
CAS	5292-45-5
Molecular Weight (g/mol)	239.18
MDL Number	MFCD00008422
SMILES	COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O
Synonym	dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate
IUPAC Name	1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate
InChI Key	PAYWCKGMOYQZAW-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

2-Hydroxyterephthalic Acid 98.0+%, TCI America™

CAS: 636-94-2 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD09835368 InChI Key: CDOWNLMZVKJRSC-UHFFFAOYSA-N PubChem CID: 97257 IUPAC Name: 2-hydroxyterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)C(=O)O

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Specifications

PubChem CID	97257
CAS	636-94-2
Molecular Weight (g/mol)	182.131
MDL Number	MFCD09835368
SMILES	C1=CC(=C(C=C1C(=O)O)O)C(=O)O
IUPAC Name	2-hydroxyterephthalic acid
InChI Key	CDOWNLMZVKJRSC-UHFFFAOYSA-N
Molecular Formula	C8H6O5

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

Monoethyl 5-Nitroisophthalate 98.0+%, TCI America™

CAS: 22871-55-2 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00130051 InChI Key: HOYHBDFTELAGGG-UHFFFAOYSA-N Synonym: 5-Nitroisophthalic Acid Monoethyl Ester PubChem CID: 89872 IUPAC Name: 3-ethoxycarbonyl-5-nitrobenzoic acid SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	89872
CAS	22871-55-2
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00130051
SMILES	CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym	5-Nitroisophthalic Acid Monoethyl Ester
IUPAC Name	3-ethoxycarbonyl-5-nitrobenzoic acid
InChI Key	HOYHBDFTELAGGG-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

Sigma Aldrich Dimethyl terephthalate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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Specifications

Percent Purity	≥99%
Linear Formula	C6H4-1,4-(CO2CH3)2
CAS	120-61-6
Molecular Weight (g/mol)	194.18
MDL Number	MFCD00008440
RTECS Number	WZ1225000
Recommended Storage	Room Temperature
Molecular Formula	C10H10O4
EINECS Number	204-411-8
Melting Point	139°C to 141°C (lit.)

Percent Purity	99%
Linear Formula	C6H4-1,3-(CO2CH3)2
CAS	1459-93-4
Molecular Weight (g/mol)	194.18
MDL Number	MFCD00008433
RTECS Number	NT2540000
Recommended Storage	Room Temperature
Molecular Formula	C10H10O4
EINECS Number	215-951-9
Melting Point	64°C to 68°C (lit.)

Sigma Aldrich mono-Methyl terephthalate

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Specifications

Percent Purity	97%
Linear Formula	4-(HO2C)C6H4CO2CH3
CAS	1679-64-7
Molecular Weight (g/mol)	180.16
MDL Number	MFCD00002557
Recommended Storage	Room Temperature
Molecular Formula	C9H8O4
EINECS Number	216-849-7
Melting Point	220°C to 223°C (lit.)

Phthalic acid and derivatives

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