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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.
Trifluoromethylbenzenes (2,169)
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1

Benzyl Alcohol, 99%, Pure

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2

DAPT

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3

p-Anisaldehyde, 99+%

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
4

trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

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PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.2
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
5
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4-Aminobenzoic acid, 99%

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
6
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Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
7

Thermo Scientific Chemicals Basic Fuchsin

CAS: 632-99-5 Molecular Formula: C20H20ClN3 Molecular Weight (g/mol): 337.85 MDL Number: MFCD00012569 InChI Key: AXDJCCTWPBKUKL-UHFFFAOYSA-N Synonym: basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic PubChem CID: 12447 IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1

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PubChem CID 12447
CAS 632-99-5
Molecular Weight (g/mol) 337.85
MDL Number MFCD00012569
SMILES [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1
Synonym basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic
IUPAC Name 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
InChI Key AXDJCCTWPBKUKL-UHFFFAOYSA-N
Molecular Formula C20H20ClN3
8
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Dithizone, 98%

CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

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PubChem CID 657262
CAS 60-10-6
Molecular Weight (g/mol) 256.33
MDL Number MFCD00003025
SMILES S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
Synonym dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
InChI Key UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular Formula C13H12N4S
9

Benzoic Acid, Certified AR for Analysis, Fisher Chemical™

CAS: 65-85-0 Molecular Formula: C7H6O2 MDL Number: 2398

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CAS 65-85-0
MDL Number 2398
Molecular Formula C7H6O2
10

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
11

Thermo Scientific Chemicals Tetrabromophenolphthalein ethyl ester, pure

CAS: 1176-74-5 Molecular Formula: C22H14Br4O4 Molecular Weight (g/mol): 661.96 MDL Number: MFCD00066387 InChI Key: SQFXATUXPUCFFO-UHFFFAOYSA-N Synonym: tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate PubChem CID: 92873 IUPAC Name: ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate SMILES: CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br

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PubChem CID 92873
CAS 1176-74-5
Molecular Weight (g/mol) 661.96
MDL Number MFCD00066387
SMILES CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
Synonym tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate
IUPAC Name ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
InChI Key SQFXATUXPUCFFO-UHFFFAOYSA-N
Molecular Formula C22H14Br4O4
12

p-Toluenesulfonyl isocyanate, 96%

CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O

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PubChem CID 77703
CAS 4083-64-1
Molecular Weight (g/mol) 197.21
MDL Number MFCD00002030
SMILES CC1=CC=C(C=C1)S(=O)(=O)N=C=O
Synonym tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate
IUPAC Name 4-methyl-N-(oxomethylidene)benzenesulfonamide
InChI Key VLJQDHDVZJXNQL-UHFFFAOYSA-N
Molecular Formula C8H7NO3S
13

Thermo Scientific Chemicals Iodonitrotetrazolium violet, 95%

CAS: 146-68-9 Molecular Formula: C19H13ClIN5O2 Molecular Weight (g/mol): 505.70 MDL Number: MFCD00011961,MFCD00149999 InChI Key: JORABGDXCIBAFL-UHFFFAOYSA-M Synonym: iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride PubChem CID: 64957 ChEBI: CHEBI:75421 IUPAC Name: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride SMILES: [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1

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PubChem CID 64957
CAS 146-68-9
Molecular Weight (g/mol) 505.70
ChEBI CHEBI:75421
MDL Number MFCD00011961,MFCD00149999
SMILES [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1
Synonym iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride
IUPAC Name 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride
InChI Key JORABGDXCIBAFL-UHFFFAOYSA-M
Molecular Formula C19H13ClIN5O2
14

Propyl 4-hydroxybenzoate, 99+%

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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PubChem CID 7175
CAS 94-13-3
Molecular Weight (g/mol) 180.2
ChEBI CHEBI:32063
MDL Number MFCD00002354
SMILES CCCOC(=O)C1=CC=C(C=C1)O
Synonym propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
IUPAC Name propyl 4-hydroxybenzoate
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
15

Veratrole, 99+%

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

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PubChem CID 7043
CAS 91-16-7
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:59114
MDL Number MFCD00008357
SMILES COC1=CC=CC=C1OC
Synonym veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
IUPAC Name 1,2-dimethoxybenzene
InChI Key ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula C8H10O2