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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

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

EDGE
PubChem CID 22932
CAS 6422-86-2
Molecular Weight (g/mol) 390.55
MDL Number MFCD00072256
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Synonym bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
IUPAC Name bis(2-ethylhexyl) benzene-1,4-dicarboxylate
InChI Key RWPICVVBGZBXNA-UHFFFAOYSA-N
Molecular Formula C24H38O4
2

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

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
3

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
4

2-Bromoterephthalic acid, 95%, Thermo Scientific Chemicals

CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.03 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) 245.03
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
5

2-Nitroterephthalic acid 1-methyl ester, 97%

CAS: 35092-89-8 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00024510 InChI Key: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid PubChem CID: 98592 IUPAC Name: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

PubChem CID 98592
CAS 35092-89-8
Molecular Weight (g/mol) 225.16
MDL Number MFCD00024510
SMILES COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
Synonym 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid
IUPAC Name 4-(methoxycarbonyl)-3-nitrobenzoic acid
InChI Key MIIADZYPHVTLPR-UHFFFAOYSA-N
Molecular Formula C9H7NO6
6

2-Aminoterephthalic acid, 98.5%, Thermo Scientific Chemicals

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

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
7

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
8

Methyl 2-amino-3-carboxybenzoate, 97%, Thermo Scientific™

CAS: 253120-47-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD06200897 InChI Key: UXQCFHRNRAGKOY-UHFFFAOYSA-N PubChem CID: 2794812 IUPAC Name: 2-amino-3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(C(O)=O)=C1N

PubChem CID 2794812
CAS 253120-47-7
Molecular Weight (g/mol) 195.17
MDL Number MFCD06200897
SMILES COC(=O)C1=CC=CC(C(O)=O)=C1N
IUPAC Name 2-amino-3-methoxycarbonylbenzoic acid
InChI Key UXQCFHRNRAGKOY-UHFFFAOYSA-N
Molecular Formula C9H9NO4
11

Mono(2-ethylhexyl) Terephthalate, TRC

CAS: 155603-50-2 Molecular Formula: C16 H22 O4 Molecular Weight (g/mol): 278.34 Synonym: 1,4-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester (9CI),2-Ethylhexyl terephthalate,Mono(2-ethylhexyl) terephthalate,Mono(2-Ethylhexyl) Terephthalate,Terephthalic acid, mono-2-ethylhexyl ester IUPAC Name: 4-(2-ethylhexoxycarbonyl)benzoic acid SMILES: CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)O

CAS 155603-50-2
Molecular Weight (g/mol) 278.34
SMILES CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)O
Synonym 1,4-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester (9CI),2-Ethylhexyl terephthalate,Mono(2-ethylhexyl) terephthalate,Mono(2-Ethylhexyl) Terephthalate,Terephthalic acid, mono-2-ethylhexyl ester
IUPAC Name 4-(2-ethylhexoxycarbonyl)benzoic acid
Molecular Formula C16 H22 O4
12

Mono-2-ethylHydroxyhexyl Terephthalate (MEHHTP), TRC

CAS: 1684398-38-6 Molecular Formula: C16H22O5 Molecular Weight (g/mol): 294.34 Synonym: 1,4-Benzenedicarboxylic Acid 1-(2-Ethyl-5-hydroxyhexyl) Ester,MEHHTP; IUPAC Name: 4-(2-ethyl-5-hydroxy-hexoxy)carbonylbenzoic acid SMILES: CCC(CCC(C)O)COC(=O)c1ccc(cc1)C(=O)O

CAS 1684398-38-6
Molecular Weight (g/mol) 294.34
SMILES CCC(CCC(C)O)COC(=O)c1ccc(cc1)C(=O)O
Synonym 1,4-Benzenedicarboxylic Acid 1-(2-Ethyl-5-hydroxyhexyl) Ester,MEHHTP;
IUPAC Name 4-(2-ethyl-5-hydroxy-hexoxy)carbonylbenzoic acid
Molecular Formula C16H22O5
13

1,2-Bis[p-(2-hydroxyethoxycarbonyl)benzoyloxy]ethane, TRC

CAS: 2144-69-6 Molecular Formula: C22 H22 O10 Molecular Weight (g/mol): 446.404 Synonym: 1,4-Benzenedicarboxylic acid, 1,2-ethanediyl bis(2-hydroxyethyl) ester (9CI),Ethylene glycol, terephthalate (3:2) (8CI),Terephthalic acid, ester with ethylene glycol (2:3) (8CI),Terephthalic acid, ethylene bis(2-hydroxyethyl) ester (6CI, 7CI),1,2-Bis[ IUPAC Name: 1-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 4-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate SMILES: OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCO

CAS 2144-69-6
Molecular Weight (g/mol) 446.404
SMILES OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCO
Synonym 1,4-Benzenedicarboxylic acid, 1,2-ethanediyl bis(2-hydroxyethyl) ester (9CI),Ethylene glycol, terephthalate (3:2) (8CI),Terephthalic acid, ester with ethylene glycol (2:3) (8CI),Terephthalic acid, ethylene bis(2-hydroxyethyl) ester (6CI, 7CI),1,2-Bis[
IUPAC Name 1-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 4-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Molecular Formula C22 H22 O10
14

1-(2-Hydroxyethyl) Ester, 1,4-Benzenedicarboxylic Acid, TRC

CAS: 1137-99-1 Molecular Formula: C10 H10 O5 Molecular Weight (g/mol): 210.183 Synonym: 1,4-Benzenedicarboxylic acid, mono(2-hydroxyethyl) ester (9CI),1-(2-Hydroxyethyl) 1,4-benzenedicarboxylate (ACI),Ethylene glycol, mono(hydrogen terephthalate) (8CI),Terephthalic acid, 2-hydroxyethyl ester (6CI, 7CI),Terephthalic acid, mono(2-hydroxyethyl) ester (8CI),2-Hydroxyethyl hydrogen terephthalate,2-Hydroxyethyl terephthalate,Ethylene glycol terephthalate (1:1),Ethylene glycol, hydrogen terephthalate (1:1),Ethylene glycol-terephthalic acid monoester,Hydrogen 2-hydroxyethyl terephthalate,Mono(2-hydroxyethyl) terephthalate,Mono(β-hydroxyethyl) terephthalate,Terephthalic acid ethylene glycol monoester,β-Hydroxyethyl terephthalate,1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) ester (ACI),Terephthalic acid, mono-2-hydroxyethyl esterMono(2-hydroxyethyl) Ester, 1,4-Benzenedicarboxylic Acid,2-Hydroxyethyl Ester, Terephthalic Acid,1-(2-Hydroxyethyl) 1,4-Benzenedicarboxylate,2-Hydroxyethyl Terephthalate IUPAC Name: 4-(2-hydroxyethoxycarbonyl)benzoic acid SMILES: OCCOC(=O)c1ccc(cc1)C(=O)O

CAS 1137-99-1
Molecular Weight (g/mol) 210.183
SMILES OCCOC(=O)c1ccc(cc1)C(=O)O
Synonym 1,4-Benzenedicarboxylic acid, mono(2-hydroxyethyl) ester (9CI),1-(2-Hydroxyethyl) 1,4-benzenedicarboxylate (ACI),Ethylene glycol, mono(hydrogen terephthalate) (8CI),Terephthalic acid, 2-hydroxyethyl ester (6CI, 7CI),Terephthalic acid, mono(2-hydroxyethyl) ester (8CI),2-Hydroxyethyl hydrogen terephthalate,2-Hydroxyethyl terephthalate,Ethylene glycol terephthalate (1:1),Ethylene glycol, hydrogen terephthalate (1:1),Ethylene glycol-terephthalic acid monoester,Hydrogen 2-hydroxyethyl terephthalate,Mono(2-hydroxyethyl) terephthalate,Mono(β-hydroxyethyl) terephthalate,Terephthalic acid ethylene glycol monoester,β-Hydroxyethyl terephthalate,1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) ester (ACI),Terephthalic acid, mono-2-hydroxyethyl esterMono(2-hydroxyethyl) Ester, 1,4-Benzenedicarboxylic Acid,2-Hydroxyethyl Ester, Terephthalic Acid,1-(2-Hydroxyethyl) 1,4-Benzenedicarboxylate,2-Hydroxyethyl Terephthalate
IUPAC Name 4-(2-hydroxyethoxycarbonyl)benzoic acid
Molecular Formula C10 H10 O5
15

3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic Acid, TRC

CAS: 16281-43-9 Molecular Formula: C11H10O5 Molecular Weight (g/mol): 222.19 Synonym: 8-Hydroxy-3-methyl-1-oxo-7-isochromancarboxylic Acid SMILES: CC1Cc2ccc(C(=O)O)c(O)c2C(=O)O1

CAS 16281-43-9
Molecular Weight (g/mol) 222.19
SMILES CC1Cc2ccc(C(=O)O)c(O)c2C(=O)O1
Synonym 8-Hydroxy-3-methyl-1-oxo-7-isochromancarboxylic Acid
Molecular Formula C11H10O5