Benzenoids
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4-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 2486-70-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: NHFKECPTBZZFBC-UHFFFAOYSA-N Synonym: 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid PubChem CID: 75598 IUPAC Name: 4-amino-3-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)C(=O)O)N
| PubChem CID | 75598 |
|---|---|
| CAS | 2486-70-6 |
| Molecular Weight (g/mol) | 151.165 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)N |
| Synonym | 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid |
| IUPAC Name | 4-amino-3-methylbenzoic acid |
| InChI Key | NHFKECPTBZZFBC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Clofibrate 98.0+%, TCI America™
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CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
| PubChem CID | 2796 |
|---|---|
| CAS | 637-07-0 |
| Molecular Weight (g/mol) | 242.70 |
| ChEBI | CHEBI:3750 |
| MDL Number | MFCD00000615 |
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| Synonym | clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul |
| IUPAC Name | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate |
| InChI Key | KNHUKKLJHYUCFP-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO3 |
Bis(6-hydroxy-2-naphthyl) Disulfide 95.0+%, TCI America™
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CAS: 6088-51-3 Molecular Formula: C20H14O2S2 Molecular Weight (g/mol): 350.45 MDL Number: MFCD00004083 InChI Key: AHXGXXJEEHFHDK-UHFFFAOYSA-N Synonym: DDD, 6,6′C-Dihydroxy-2,2′C-dinaphthyl Disulfide, 6-Hydroxy-2-naphthyl Disulfide PubChem CID: 22463 IUPAC Name: 6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol SMILES: C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O
| PubChem CID | 22463 |
|---|---|
| CAS | 6088-51-3 |
| Molecular Weight (g/mol) | 350.45 |
| MDL Number | MFCD00004083 |
| SMILES | C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O |
| Synonym | DDD, 6,6′C-Dihydroxy-2,2′C-dinaphthyl Disulfide, 6-Hydroxy-2-naphthyl Disulfide |
| IUPAC Name | 6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol |
| InChI Key | AHXGXXJEEHFHDK-UHFFFAOYSA-N |
| Molecular Formula | C20H14O2S2 |
1,6-Dibromopyrene 98.0+%, TCI America™
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CAS: 27973-29-1 Molecular Formula: C16H8Br2 Molecular Weight (g/mol): 360.048 MDL Number: MFCD09263746 InChI Key: JRCJYPMNBNNCFE-UHFFFAOYSA-N PubChem CID: 176470 IUPAC Name: 1,6-dibromopyrene SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
| PubChem CID | 176470 |
|---|---|
| CAS | 27973-29-1 |
| Molecular Weight (g/mol) | 360.048 |
| MDL Number | MFCD09263746 |
| SMILES | C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br |
| IUPAC Name | 1,6-dibromopyrene |
| InChI Key | JRCJYPMNBNNCFE-UHFFFAOYSA-N |
| Molecular Formula | C16H8Br2 |
2,2-Bis(4-isocyanatophenyl)hexafluoropropane 98.0+%, TCI America™
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CAS: 10224-18-7 Molecular Formula: C17H8F6N2O2 Molecular Weight (g/mol): 386.25 MDL Number: MFCD00142759 InChI Key: QIPLQPPNURSGKC-UHFFFAOYSA-N Synonym: 4,4′C-(Hexafluoroisopropylidene)bis(isocyanatobenzene) PubChem CID: 2736044 IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene SMILES: FC(F)(F)C(C1=CC=C(C=C1)N=C=O)(C1=CC=C(C=C1)N=C=O)C(F)(F)F
| PubChem CID | 2736044 |
|---|---|
| CAS | 10224-18-7 |
| Molecular Weight (g/mol) | 386.25 |
| MDL Number | MFCD00142759 |
| SMILES | FC(F)(F)C(C1=CC=C(C=C1)N=C=O)(C1=CC=C(C=C1)N=C=O)C(F)(F)F |
| Synonym | 4,4′C-(Hexafluoroisopropylidene)bis(isocyanatobenzene) |
| IUPAC Name | 1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene |
| InChI Key | QIPLQPPNURSGKC-UHFFFAOYSA-N |
| Molecular Formula | C17H8F6N2O2 |
N,N-Dimethyl-m-toluidine 97.0+%, TCI America™
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CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1
| PubChem CID | 8488 |
|---|---|
| CAS | 121-72-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008305 |
| SMILES | CN(C)C1=CC=CC(C)=C1 |
| Synonym | n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl |
| IUPAC Name | N,N,3-trimethylaniline |
| InChI Key | CWOMTHDOJCARBY-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
2-Chloro-4-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 56363-84-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00798116 InChI Key: WIPYZRZPNMUSER-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa PubChem CID: 91821 IUPAC Name: 2-chloro-4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1Cl
| PubChem CID | 91821 |
|---|---|
| CAS | 56363-84-9 |
| Molecular Weight (g/mol) | 172.56 |
| MDL Number | MFCD00798116 |
| SMILES | OC(=O)C1=CC=C(O)C=C1Cl |
| Synonym | benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa |
| IUPAC Name | 2-chloro-4-hydroxybenzoic acid |
| InChI Key | WIPYZRZPNMUSER-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO3 |
2-Ethylhexyl Benzoate 99.0+%, TCI America™
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CAS: 5444-75-7 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00072620 InChI Key: UADWUILHKRXHMM-UHFFFAOYSA-N Synonym: Benzoic Acid 2-Ethylhexyl Ester PubChem CID: 94310 IUPAC Name: 2-ethylhexyl benzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1
| PubChem CID | 94310 |
|---|---|
| CAS | 5444-75-7 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00072620 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid 2-Ethylhexyl Ester |
| IUPAC Name | 2-ethylhexyl benzoate |
| InChI Key | UADWUILHKRXHMM-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
Eugenol Acetate 98.0+%, TCI America™
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CAS: 93-28-7 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00026191 InChI Key: SCCDQYPEOIRVGX-UHFFFAOYSA-N Synonym: eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene PubChem CID: 7136 ChEBI: CHEBI:34522 IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate SMILES: COC1=CC(CC=C)=CC=C1OC(C)=O
| PubChem CID | 7136 |
|---|---|
| CAS | 93-28-7 |
| Molecular Weight (g/mol) | 206.24 |
| ChEBI | CHEBI:34522 |
| MDL Number | MFCD00026191 |
| SMILES | COC1=CC(CC=C)=CC=C1OC(C)=O |
| Synonym | eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene |
| IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate |
| InChI Key | SCCDQYPEOIRVGX-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate 97.0+%, TCI America™
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CAS: 641569-96-2 Molecular Formula: C11H16N4O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD11100711 InChI Key: YQMZYKJPGMVZJL-UHFFFAOYSA-N Synonym: 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate PubChem CID: 44181764 IUPAC Name: ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid SMILES: O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1
| PubChem CID | 44181764 |
|---|---|
| CAS | 641569-96-2 |
| Molecular Weight (g/mol) | 284.27 |
| MDL Number | MFCD11100711 |
| SMILES | O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1 |
| Synonym | 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate |
| IUPAC Name | ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid |
| InChI Key | YQMZYKJPGMVZJL-UHFFFAOYSA-N |
| Molecular Formula | C11H16N4O5 |
4-Ethynylbenzaldehyde 98.0+%, TCI America™
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CAS: 63697-96-1 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.146 MDL Number: MFCD05664348 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N Synonym: 4-ethynyl benzaldehyde,4-ethynyl-benzaldehyde,benzaldehyde, 4-ethynyl,benzaldehyde,4-ethynyl,p-ethynylbenzaldehyde,4-acetylenylbenzaldehyde,acmc-209x0m,4-ethynylbenzaldehyde,benzaldehyde, 4-ethynyl-9ci PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O
| PubChem CID | 2771645 |
|---|---|
| CAS | 63697-96-1 |
| Molecular Weight (g/mol) | 130.146 |
| MDL Number | MFCD05664348 |
| SMILES | C#CC1=CC=C(C=C1)C=O |
| Synonym | 4-ethynyl benzaldehyde,4-ethynyl-benzaldehyde,benzaldehyde, 4-ethynyl,benzaldehyde,4-ethynyl,p-ethynylbenzaldehyde,4-acetylenylbenzaldehyde,acmc-209x0m,4-ethynylbenzaldehyde,benzaldehyde, 4-ethynyl-9ci |
| IUPAC Name | 4-ethynylbenzaldehyde |
| InChI Key | BGMHQBQFJYJLBP-UHFFFAOYSA-N |
| Molecular Formula | C9H6O |
3-Bromophenetole 98.0+%, TCI America™
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CAS: 2655-84-7 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00274287 InChI Key: LQBMPJSTUHWGDE-UHFFFAOYSA-N Synonym: 3-bromophenetole,benzene, 1-bromo-3-ethoxy,m-bromophenetole,3-bromophenyl ethyl ether,1-bromo-3-ethoxy-benzene,3-bromoethoxybenzene,3-bromphenyl ethyl ether,phenetole, m-bromo,m-bromphenetol,3-ethoxybromobenzene PubChem CID: 75867 IUPAC Name: 1-bromo-3-ethoxybenzene SMILES: CCOC1=CC=CC(Br)=C1
| PubChem CID | 75867 |
|---|---|
| CAS | 2655-84-7 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00274287 |
| SMILES | CCOC1=CC=CC(Br)=C1 |
| Synonym | 3-bromophenetole,benzene, 1-bromo-3-ethoxy,m-bromophenetole,3-bromophenyl ethyl ether,1-bromo-3-ethoxy-benzene,3-bromoethoxybenzene,3-bromphenyl ethyl ether,phenetole, m-bromo,m-bromphenetol,3-ethoxybromobenzene |
| IUPAC Name | 1-bromo-3-ethoxybenzene |
| InChI Key | LQBMPJSTUHWGDE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
2,6-Difluoro-4-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 214917-68-7 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.10 MDL Number: MFCD03094500 InChI Key: NFIQGYBXSJQLSR-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol PubChem CID: 2778776 IUPAC Name: 2,6-difluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1F
| PubChem CID | 2778776 |
|---|---|
| CAS | 214917-68-7 |
| Molecular Weight (g/mol) | 174.10 |
| MDL Number | MFCD03094500 |
| SMILES | OC(=O)C1=C(F)C=C(O)C=C1F |
| Synonym | 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol |
| IUPAC Name | 2,6-difluoro-4-hydroxybenzoic acid |
| InChI Key | NFIQGYBXSJQLSR-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O3 |
Bis(tri-o-tolylphosphine)palladium(II) Dichloride 90.0+%, TCI America™
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CAS: 40691-33-6 Molecular Formula: C42H42Cl2P2Pd Molecular Weight (g/mol): 786.06 MDL Number: MFCD00274659 InChI Key: GMLMZLGOMMIIMA-UHFFFAOYSA-L Synonym: palladium,dichlorobis tris 2-methylphenyl phosphine PubChem CID: 90656943 IUPAC Name: dichloropalladiumbis(ylium); bis(tris(2-methylphenyl)phosphane) SMILES: Cl[Pd++]Cl.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1
| PubChem CID | 90656943 |
|---|---|
| CAS | 40691-33-6 |
| Molecular Weight (g/mol) | 786.06 |
| MDL Number | MFCD00274659 |
| SMILES | Cl[Pd++]Cl.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1 |
| Synonym | palladium,dichlorobis tris 2-methylphenyl phosphine |
| IUPAC Name | dichloropalladiumbis(ylium); bis(tris(2-methylphenyl)phosphane) |
| InChI Key | GMLMZLGOMMIIMA-UHFFFAOYSA-L |
| Molecular Formula | C42H42Cl2P2Pd |
4-Fluorosalicylic Acid 98.0+%, TCI America™
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CAS: 345-29-9 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD00153168 InChI Key: TTZOLDXHOCCNMF-UHFFFAOYSA-N Synonym: 4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493 PubChem CID: 67661 IUPAC Name: 4-fluoro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 67661 |
|---|---|
| CAS | 345-29-9 |
| Molecular Weight (g/mol) | 156.11 |
| MDL Number | MFCD00153168 |
| SMILES | OC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493 |
| IUPAC Name | 4-fluoro-2-hydroxybenzoic acid |
| InChI Key | TTZOLDXHOCCNMF-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |