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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 23 results
1

Monomethyl Isophthalate 97.0+%, TCI America™

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
2

Dimethyl Terephthalate 99.0+%, TCI America™

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
3

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

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
4

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

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
5

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

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
6

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

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
7

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
8

2,5-Dimethylterephthalic Acid 97.0+%, TCI America™

CAS: 6051-66-7 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00020292 InChI Key: FKUJGZJNDUGCFU-UHFFFAOYSA-N PubChem CID: 299989 IUPAC Name: 2,5-dimethylterephthalic acid SMILES: CC1=CC(=C(C=C1C(=O)O)C)C(=O)O

PubChem CID 299989
CAS 6051-66-7
Molecular Weight (g/mol) 194.186
MDL Number MFCD00020292
SMILES CC1=CC(=C(C=C1C(=O)O)C)C(=O)O
IUPAC Name 2,5-dimethylterephthalic acid
InChI Key FKUJGZJNDUGCFU-UHFFFAOYSA-N
Molecular Formula C10H10O4
9

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-]

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
10

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

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
11

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

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
12

Dimethyl 4-Hydroxyisophthalate 97.0+%, TCI America™

CAS: 5985-24-0 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.185 MDL Number: MFCD00152444 InChI Key: ALBUJVBOIXVVLS-UHFFFAOYSA-N Synonym: 4-Hydroxyisophthalic Acid Dimethyl Ester PubChem CID: 80087 IUPAC Name: dimethyl 4-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)O)C(=O)OC

PubChem CID 80087
CAS 5985-24-0
Molecular Weight (g/mol) 210.185
MDL Number MFCD00152444
SMILES COC(=O)C1=CC(=C(C=C1)O)C(=O)OC
Synonym 4-Hydroxyisophthalic Acid Dimethyl Ester
IUPAC Name dimethyl 4-hydroxybenzene-1,3-dicarboxylate
InChI Key ALBUJVBOIXVVLS-UHFFFAOYSA-N
Molecular Formula C10H10O5
13

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

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
14

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

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
15

Terephthalic Acid 99.0+%, TCI America™

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

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