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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (967)
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1 – 15 of 2,387 results
1

Thermo Scientific Chemicals Flufenamic acid, 97%

CAS: 530-78-9 Molecular Formula: C14H10F3NO2 Molecular Weight (g/mol): 281.22 MDL Number: MFCD00002422 InChI Key: LPEPZBJOKDYZAD-UHFFFAOYSA-N Synonym: flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene PubChem CID: 3371 ChEBI: CHEBI:42638 IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

PubChem CID 3371
CAS 530-78-9
Molecular Weight (g/mol) 281.22
ChEBI CHEBI:42638
MDL Number MFCD00002422
SMILES C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
Synonym flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene
IUPAC Name 2-[3-(trifluoromethyl)anilino]benzoic acid
InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-N
Molecular Formula C14H10F3NO2
2

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

PubChem CID 7690
CAS 104-01-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:55501
MDL Number MFCD00004345
SMILES COC1=CC=C(C=C1)CC(=O)O
Synonym 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name 2-(4-methoxyphenyl)acetic acid
InChI Key NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula C9H10O3
3

4-Amino-3-methoxybenzoic acid, 98%

CAS: 2486-69-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00016539 InChI Key: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonym: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid PubChem CID: 288057 IUPAC Name: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N

PubChem CID 288057
CAS 2486-69-3
Molecular Weight (g/mol) 167.16
MDL Number MFCD00016539
SMILES COC1=C(C=CC(=C1)C(=O)O)N
Synonym 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid
IUPAC Name 4-amino-3-methoxybenzoic acid
InChI Key JNFGLYJROFAOQP-UHFFFAOYSA-N
Molecular Formula C8H9NO3
4

Diatrizoic acid

CAS: 117-96-4 Molecular Formula: C11H9I3N2O4 Molecular Weight (g/mol): 613.92 MDL Number: MFCD00069960 InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonym: diatrizoic acid,amidotrizoic acid,diatrizoate,amidotrizoate,urogranoic acid,urografin acid,odiston,urotrast,diat,diatriazoate PubChem CID: 2140 ChEBI: CHEBI:53691 IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

PubChem CID 2140
CAS 117-96-4
Molecular Weight (g/mol) 613.92
ChEBI CHEBI:53691
MDL Number MFCD00069960
SMILES CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Synonym diatrizoic acid,amidotrizoic acid,diatrizoate,amidotrizoate,urogranoic acid,urografin acid,odiston,urotrast,diat,diatriazoate
IUPAC Name 3,5-diacetamido-2,4,6-triiodobenzoic acid
InChI Key YVPYQUNUQOZFHG-UHFFFAOYSA-N
Molecular Formula C11H9I3N2O4
5

Thermo Scientific Chemicals Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

PubChem CID 5100
CAS 603-45-2
Molecular Weight (g/mol) 290.32
ChEBI CHEBI:34544
MDL Number MFCD00001624
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula C19H14O3
6

Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

PubChem CID 5100
CAS 603-45-2
Molecular Weight (g/mol) 290.32
ChEBI CHEBI:34544
MDL Number MFCD00001624
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula C19H14O3
7

Aurintricarboxylic acid

CAS: 4431-00-9 Molecular Formula: C22H14O9 Molecular Weight (g/mol): 422.345 MDL Number: MFCD00011663 InChI Key: GIXWDMTZECRIJT-UHFFFAOYSA-N Synonym: aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid PubChem CID: 2259 ChEBI: CHEBI:87397 IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O

PubChem CID 2259
CAS 4431-00-9
Molecular Weight (g/mol) 422.345
ChEBI CHEBI:87397
MDL Number MFCD00011663
SMILES C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O
Synonym aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid
IUPAC Name 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
InChI Key GIXWDMTZECRIJT-UHFFFAOYSA-N
Molecular Formula C22H14O9
8

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.13
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
9

Terephthalic acid, 99+%

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
10

Phenoxyacetic acid, 98+%

CAS: 122-59-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004296 InChI Key: LCPDWSOZIOUXRV-UHFFFAOYSA-N Synonym: phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique PubChem CID: 19188 ChEBI: CHEBI:8075 IUPAC Name: 2-phenoxyacetic acid SMILES: OC(=O)COC1=CC=CC=C1

PubChem CID 19188
CAS 122-59-8
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:8075
MDL Number MFCD00004296
SMILES OC(=O)COC1=CC=CC=C1
Synonym phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique
IUPAC Name 2-phenoxyacetic acid
InChI Key LCPDWSOZIOUXRV-UHFFFAOYSA-N
Molecular Formula C8H8O3
11

Salicylhydroxamic acid, 99%

CAS: 89-73-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00002110 InChI Key: HBROZNQEVUILML-UHFFFAOYSA-N Synonym: salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide PubChem CID: 66644 ChEBI: CHEBI:45615 IUPAC Name: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

PubChem CID 66644
CAS 89-73-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:45615
MDL Number MFCD00002110
SMILES C1=CC=C(C(=C1)C(=O)NO)O
Synonym salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide
IUPAC Name N,2-dihydroxybenzamide
InChI Key HBROZNQEVUILML-UHFFFAOYSA-N
Molecular Formula C7H7NO3
12

Pentafluorobenzoic acid, 98+%

CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.08 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 11770
CAS 602-94-8
Molecular Weight (g/mol) 212.08
ChEBI CHEBI:46796
MDL Number MFCD00002406
SMILES OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017
IUPAC Name 2,3,4,5,6-pentafluorobenzoic acid
InChI Key YZERDTREOUSUHF-UHFFFAOYSA-N
Molecular Formula C7HF5O2
13

Nitroterephthalic acid, 99%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
14

Tolfenamic acid, 99+%

CAS: 13710-19-5 Molecular Formula: C14H12ClNO2 Molecular Weight (g/mol): 261.705 MDL Number: MFCD00133865 InChI Key: YEZNLOUZAIOMLT-UHFFFAOYSA-N Synonym: tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid PubChem CID: 610479 ChEBI: CHEBI:32243 IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

PubChem CID 610479
CAS 13710-19-5
Molecular Weight (g/mol) 261.705
ChEBI CHEBI:32243
MDL Number MFCD00133865
SMILES CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O
Synonym tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid
IUPAC Name 2-(3-chloro-2-methylanilino)benzoic acid
InChI Key YEZNLOUZAIOMLT-UHFFFAOYSA-N
Molecular Formula C14H12ClNO2
15

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

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