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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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

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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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

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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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

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

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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

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

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

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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Specifications

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

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 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

2,5-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

6-Carboxyfluorescein Hydrate 97.0+%, TCI America™

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

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Specifications

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

Disodium Terephthalate 99.0+%, TCI America™

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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PubChem CID	82305
CAS	10028-70-3
Molecular Weight (g/mol)	210.096
MDL Number	MFCD00013137
SMILES	C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name	disodium;terephthalate
InChI Key	VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula	C8H4Na2O4

2-Hydroxyethyl Methyl Terephthalate 97.0+%, TCI America™

CAS: 3645-00-9 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.212 MDL Number: MFCD01321191 InChI Key: DJQMYWWZWUOCBQ-UHFFFAOYSA-N Synonym: Terephthalic Acid 2-Hydroxyethyl Methyl Ester PubChem CID: 77207 IUPAC Name: 4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OCCO

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PubChem CID	77207
CAS	3645-00-9
Molecular Weight (g/mol)	224.212
MDL Number	MFCD01321191
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)OCCO
Synonym	Terephthalic Acid 2-Hydroxyethyl Methyl Ester
IUPAC Name	4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
InChI Key	DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Molecular Formula	C11H12O5

Bromoterephthalic Acid 98.0+%, TCI America™

CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 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

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PubChem CID	68513
CAS	586-35-6
Molecular Weight (g/mol)	245.028
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

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