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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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1 – 15 of 24 results
1

Terephthalic acid, 98+%

CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

EDGE
PubChem CID 7489
CAS 100-21-0
Molecular Weight (g/mol) 166.132
ChEBI CHEBI:15702
MDL Number MFCD00002558
SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
Synonym p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
IUPAC Name terephthalic acid
InChI Key KKEYFWRCBNTPAC-UHFFFAOYSA-N
Molecular Formula C8H6O4
2

Disodium terephthalate, 99+%

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+]

EDGE
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
3

2-Aminoterephthalic acid, 99%

CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O

EDGE
PubChem CID 2724822
CAS 10312-55-7
Molecular Weight (g/mol) 179.13
MDL Number MFCD00134536
SMILES NC1=CC(=CC=C1C([O-])=O)C([O-])=O
Synonym aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751
IUPAC Name 2-aminoterephthalic acid
InChI Key GPNNOCMCNFXRAO-UHFFFAOYSA-L
Molecular Formula C8H5NO4
4

Methyl hydrogen isophthalate, 97%

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

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
5

2-Bromoterephthalic acid, 97%

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

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
6

Dimethyl terephthalate, 99%, Thermo Scientific Chemicals

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
7

Methyl hydrogen terephthalate, 99+%

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

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
8

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
9

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
10

Dimethyl 5-nitroisophthalate, 98+%

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: dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O

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 dimethyl 5-nitrobenzene-1,3-dicarboxylate
InChI Key GGTSJKFPGKFLCZ-UHFFFAOYSA-N
Molecular Formula C10H9NO6
11

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
12

Dimethyl 5-aminoisophthalate, 98%

CAS: 99-27-4 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008435 InChI Key: DEKPYXUDJRABNK-UHFFFAOYSA-N PubChem CID: 66831 IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC

PubChem CID 66831
CAS 99-27-4
Molecular Weight (g/mol) 209.201
MDL Number MFCD00008435
SMILES COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
IUPAC Name dimethyl 5-aminobenzene-1,3-dicarboxylate
InChI Key DEKPYXUDJRABNK-UHFFFAOYSA-N
Molecular Formula C10H11NO4
13

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
14

Dimethyl isophthalate, 98%

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: 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 dimethyl benzene-1,3-dicarboxylate
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
15

Dimethyl 5-bromoisophthalate, 98%

CAS: 51760-21-5 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00078709 InChI Key: QUJINGKSNJNXEB-UHFFFAOYSA-N Synonym: dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester PubChem CID: 103954 IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC

PubChem CID 103954
CAS 51760-21-5
Molecular Weight (g/mol) 273.082
MDL Number MFCD00078709
SMILES COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
Synonym dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester
IUPAC Name dimethyl 5-bromobenzene-1,3-dicarboxylate
InChI Key QUJINGKSNJNXEB-UHFFFAOYSA-N
Molecular Formula C10H9BrO4