Benzenoids
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Ethyl 3-Bromobenzoate 98.0+%, TCI America™
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CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N Synonym: ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 90488 |
|---|---|
| CAS | 24398-88-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00013529 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Br |
| Synonym | ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate |
| IUPAC Name | ethyl 3-bromobenzoate |
| InChI Key | QAUASTLEZAPQTB-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Aminobenzotrifluoride 98.0+%, TCI America™
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CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N
| PubChem CID | 9964 |
|---|---|
| CAS | 455-14-1 |
| Molecular Weight (g/mol) | 161.127 |
| ChEBI | CHEBI:40750 |
| MDL Number | MFCD00064396 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)N |
| Synonym | 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine |
| IUPAC Name | 4-(trifluoromethyl)aniline |
| InChI Key | ODGIMMLDVSWADK-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3N |
9-Fluorenone-1-carboxylic Acid 98.0+%, TCI America™
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CAS: 1573-92-8 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.22 MDL Number: MFCD00011537 InChI Key: CBEFMGJHEKAMNI-UHFFFAOYSA-N Synonym: 9-oxo-9h-fluorene-1-carboxylic acid,9-fluorenone-1-carboxylic acid,9-oxo-9h-fluorenecarboxylic acid,9-oxofluorenecarboxylic acid,9-fluorenone-1-carboxylicacid,9h-fluorene-1-carboxylic acid, 9-oxo,maybridge1_002192,9-oxo-1-fluorenecarboxylic acid,9-oxo-9h-fluorene-1-carboxylicacid,9h-fluorenecarboxylic acid, 9-oxo PubChem CID: 74083 IUPAC Name: 9-oxo-9H-fluorene-1-carboxylic acid SMILES: OC(=O)C1=CC=CC2=C1C(=O)C1=CC=CC=C21
| PubChem CID | 74083 |
|---|---|
| CAS | 1573-92-8 |
| Molecular Weight (g/mol) | 224.22 |
| MDL Number | MFCD00011537 |
| SMILES | OC(=O)C1=CC=CC2=C1C(=O)C1=CC=CC=C21 |
| Synonym | 9-oxo-9h-fluorene-1-carboxylic acid,9-fluorenone-1-carboxylic acid,9-oxo-9h-fluorenecarboxylic acid,9-oxofluorenecarboxylic acid,9-fluorenone-1-carboxylicacid,9h-fluorene-1-carboxylic acid, 9-oxo,maybridge1_002192,9-oxo-1-fluorenecarboxylic acid,9-oxo-9h-fluorene-1-carboxylicacid,9h-fluorenecarboxylic acid, 9-oxo |
| IUPAC Name | 9-oxo-9H-fluorene-1-carboxylic acid |
| InChI Key | CBEFMGJHEKAMNI-UHFFFAOYSA-N |
| Molecular Formula | C14H8O3 |
2-Iodocumene 98.0+%, TCI America™
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p-Tolualdehyde 98.0+%, TCI America™
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CAS: 104-87-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O
| PubChem CID | 7725 |
|---|---|
| CAS | 104-87-0 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:28617 |
| MDL Number | MFCD00006954 |
| SMILES | CC1=CC=C(C=C1)C=O |
| Synonym | p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde |
| IUPAC Name | 4-methylbenzaldehyde |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
Iodobenzene Diacetate 97.0+%, TCI America™
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CAS: 3240-34-4 Molecular Formula: C10H11IO4 Molecular Weight (g/mol): 322.098 MDL Number: MFCD00008692 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Synonym: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
| PubChem CID | 76724 |
|---|---|
| CAS | 3240-34-4 |
| Molecular Weight (g/mol) | 322.098 |
| MDL Number | MFCD00008692 |
| SMILES | CC(=O)OI(C1=CC=CC=C1)OC(=O)C |
| Synonym | iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo |
| IUPAC Name | [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate |
| InChI Key | ZBIKORITPGTTGI-UHFFFAOYSA-N |
| Molecular Formula | C10H11IO4 |
Dimethyl 5-Hydroxyisophthalate 98.0+%, TCI America™
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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 |
Auramine 80.0+%, TCI America™
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CAS: 2465-27-2 Molecular Formula: C17H22ClN3 Molecular Weight (g/mol): 303.834 MDL Number: MFCD00012484 InChI Key: KSCQDDRPFHTIRL-UHFFFAOYSA-N Synonym: auramine o,basic yellow 2,auramin,auramine yellow,auramine hydrochloride,aizen auramine,auramine extra,auramine pure,auramine n,auramine chloride PubChem CID: 17170 ChEBI: CHEBI:51876 IUPAC Name: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride SMILES: CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl
| PubChem CID | 17170 |
|---|---|
| CAS | 2465-27-2 |
| Molecular Weight (g/mol) | 303.834 |
| ChEBI | CHEBI:51876 |
| MDL Number | MFCD00012484 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl |
| Synonym | auramine o,basic yellow 2,auramin,auramine yellow,auramine hydrochloride,aizen auramine,auramine extra,auramine pure,auramine n,auramine chloride |
| IUPAC Name | 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride |
| InChI Key | KSCQDDRPFHTIRL-UHFFFAOYSA-N |
| Molecular Formula | C17H22ClN3 |
2,5-Dihydroxybenzoic Acid 99.0+%, TCI America™
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CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O
| PubChem CID | 3469 |
|---|---|
| CAS | 490-79-9 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:17189 |
| MDL Number | MFCD00002460 |
| SMILES | C1=CC(=C(C=C1O)C(=O)O)O |
| Synonym | gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid |
| IUPAC Name | 2,5-dihydroxybenzoic acid |
| InChI Key | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Phenethyl Salicylate 98.0+%, TCI America™
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CAS: 87-22-9 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00020036 InChI Key: YNMSDIQQNIRGDP-UHFFFAOYSA-N Synonym: Salicylic Acid Phenethyl Ester, 2-Phenylethyl Salicylate, Salicylic Acid 2-Phenylethyl Ester, Phenethyl 2-Hydroxybenzoate, 2-Hydroxybenzoic Acid Phenethyl Ester, 2-Phenylethyl 2-Hydroxybenzoate, 2-Hydroxybenzoic Acid 2-Phenylethyl Ester PubChem CID: 62332 IUPAC Name: 2-phenylethyl 2-hydroxybenzoate SMILES: OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1
| PubChem CID | 62332 |
|---|---|
| CAS | 87-22-9 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00020036 |
| SMILES | OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1 |
| Synonym | Salicylic Acid Phenethyl Ester, 2-Phenylethyl Salicylate, Salicylic Acid 2-Phenylethyl Ester, Phenethyl 2-Hydroxybenzoate, 2-Hydroxybenzoic Acid Phenethyl Ester, 2-Phenylethyl 2-Hydroxybenzoate, 2-Hydroxybenzoic Acid 2-Phenylethyl Ester |
| IUPAC Name | 2-phenylethyl 2-hydroxybenzoate |
| InChI Key | YNMSDIQQNIRGDP-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
Methylenediphenyl 4,4'-Diisocyanate 97.0+%, TCI America™
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CAS: 101-68-8 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.257 MDL Number: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Synonym: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
| PubChem CID | 7570 |
|---|---|
| CAS | 101-68-8 |
| Molecular Weight (g/mol) | 250.257 |
| ChEBI | CHEBI:53218 |
| MDL Number | MFCD00036131 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| Synonym | 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate |
| IUPAC Name | 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene |
| InChI Key | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
| Molecular Formula | C15H10N2O2 |
4-Aminobenzophenone 98.0+%, TCI America™
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CAS: 1137-41-3 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00007895 InChI Key: RBKHNGHPZZZJCI-UHFFFAOYSA-N Synonym: 4-aminobenzophenone,4-aminophenyl phenyl methanone,4-benzoylaniline,p-aminobenzophenone,methanone, 4-aminophenyl phenyl,benzophenone, 4-amino,p-benzoylaniline,usaf a-233,4-aminophenyl-phenylmethanone,4-aminophenyl-phenyl-methanone PubChem CID: 14346 IUPAC Name: 4-benzoylaniline SMILES: NC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 14346 |
|---|---|
| CAS | 1137-41-3 |
| Molecular Weight (g/mol) | 197.24 |
| MDL Number | MFCD00007895 |
| SMILES | NC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-aminobenzophenone,4-aminophenyl phenyl methanone,4-benzoylaniline,p-aminobenzophenone,methanone, 4-aminophenyl phenyl,benzophenone, 4-amino,p-benzoylaniline,usaf a-233,4-aminophenyl-phenylmethanone,4-aminophenyl-phenyl-methanone |
| IUPAC Name | 4-benzoylaniline |
| InChI Key | RBKHNGHPZZZJCI-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO |
4-Aminobenzoic Acid 99.0+%, TCI America™
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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
| 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 |
Ethyl 2-Cyano-3,3-diphenylacrylate 98.0+%, TCI America™
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CAS: 5232-99-5 Molecular Formula: C18H15NO2 Molecular Weight (g/mol): 277.323 MDL Number: MFCD00027364 InChI Key: IAJNXBNRYMEYAZ-UHFFFAOYSA-N Synonym: 2-Cyano-3,3-diphenylacrylic Acid Ethyl Ester PubChem CID: 243274 IUPAC Name: ethyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
| PubChem CID | 243274 |
|---|---|
| CAS | 5232-99-5 |
| Molecular Weight (g/mol) | 277.323 |
| MDL Number | MFCD00027364 |
| SMILES | CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N |
| Synonym | 2-Cyano-3,3-diphenylacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-cyano-3,3-diphenylprop-2-enoate |
| InChI Key | IAJNXBNRYMEYAZ-UHFFFAOYSA-N |
| Molecular Formula | C18H15NO2 |
Isovanillic Acid 98.0+%, TCI America™
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CAS: 645-08-9 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002507 InChI Key: LBKFGYZQBSGRHY-UHFFFAOYSA-N Synonym: isovanillic acid,acide isovanillique,3-hydroxyanisic acid,3-hydroxy-p-anisic acid,benzoic acid, 3-hydroxy-4-methoxy,p-anisic acid, 3-hydroxy,chembl88700,3-hydroxy-4-methoxy-benzoic acid,3-hydroxy-4-methoxybenzoicacid,5-carboxyguaiacol PubChem CID: 12575 ChEBI: CHEBI:63798 IUPAC Name: 3-hydroxy-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)O
| PubChem CID | 12575 |
|---|---|
| CAS | 645-08-9 |
| Molecular Weight (g/mol) | 168.148 |
| ChEBI | CHEBI:63798 |
| MDL Number | MFCD00002507 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)O |
| Synonym | isovanillic acid,acide isovanillique,3-hydroxyanisic acid,3-hydroxy-p-anisic acid,benzoic acid, 3-hydroxy-4-methoxy,p-anisic acid, 3-hydroxy,chembl88700,3-hydroxy-4-methoxy-benzoic acid,3-hydroxy-4-methoxybenzoicacid,5-carboxyguaiacol |
| IUPAC Name | 3-hydroxy-4-methoxybenzoic acid |
| InChI Key | LBKFGYZQBSGRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |