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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 – 15 of 67 results
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

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

Dimethyl aminoterephthalate, 99%

CAS: 5372-81-6 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008427 InChI Key: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

PubChem CID 79336
CAS 5372-81-6
Molecular Weight (g/mol) 209.201
MDL Number MFCD00008427
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Synonym dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
IUPAC Name dimethyl 2-aminobenzene-1,4-dicarboxylate
InChI Key DSSKDXUDARIMTR-UHFFFAOYSA-N
Molecular Formula C10H11NO4
4

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
5

Diethyl terephthalate, 95%

CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00039891 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonym: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester PubChem CID: 12483 IUPAC Name: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

PubChem CID 12483
CAS 636-09-9
Molecular Weight (g/mol) 222.24
MDL Number MFCD00039891
SMILES CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Synonym diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
IUPAC Name diethyl benzene-1,4-dicarboxylate
InChI Key ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular Formula C12H14O4
6

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
7

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
8

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
9

TraceCERT™ Dimethyl Terephthalate Solution, 5 mg/g in DMSO-d, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

10

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
11

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
12

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
13

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
14

3,5-Bis(methoxycarbonyl)benzeneboronic acid pinacol ester, 97%

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
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