Phthalic acid and derivatives

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

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

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
2

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

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
3

Methyl hydrogen isophthalate, 97%, Thermo Scientific Chemicals

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
4

Dimethyl tetrachloroterephthalate, 97%, Thermo Scientific™

CAS: 1861-32-1 Molecular Formula: C10H6Cl4O4 Molecular Weight (g/mol): 331.95 MDL Number: MFCD00014902 InChI Key: NPOJQCVWMSKXDN-UHFFFAOYSA-N Synonym: chlorthal-dimethyl,dacthal,dimethyl tetrachloroterephthalate,dacthalor,fatal,chlorthal-methyl,tetral,tetrachloroterephthalic acid dimethyl ester,dimethyl 2,3,5,6-tetrachloroterephthalate,dac 4 PubChem CID: 2943 ChEBI: CHEBI:34664 IUPAC Name: dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl

PubChem CID 2943
CAS 1861-32-1
Molecular Weight (g/mol) 331.95
ChEBI CHEBI:34664
MDL Number MFCD00014902
SMILES COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl
Synonym chlorthal-dimethyl,dacthal,dimethyl tetrachloroterephthalate,dacthalor,fatal,chlorthal-methyl,tetral,tetrachloroterephthalic acid dimethyl ester,dimethyl 2,3,5,6-tetrachloroterephthalate,dac 4
IUPAC Name dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
InChI Key NPOJQCVWMSKXDN-UHFFFAOYSA-N
Molecular Formula C10H6Cl4O4
5

Dimethyl 5-bromoisophthalate, 98%, Thermo Scientific Chemicals

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
6

Terephthalic acid, 99+%, Thermo Scientific Chemicals

CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 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

PubChem CID 7489
CAS 100-21-0
Molecular Weight (g/mol) 166.13
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
7