Benzenoids
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(Acetylmethylene)triphenylphosphorane 98.0+%, TCI America™
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CAS: 1439-36-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00008774 InChI Key: KAANTNXREIRLCT-UHFFFAOYSA-N Synonym: acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone PubChem CID: 15038 IUPAC Name: 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one SMILES: CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 15038 |
|---|---|
| CAS | 1439-36-7 |
| Molecular Weight (g/mol) | 318.36 |
| MDL Number | MFCD00008774 |
| SMILES | CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone |
| IUPAC Name | 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one |
| InChI Key | KAANTNXREIRLCT-UHFFFAOYSA-N |
| Molecular Formula | C21H19OP |
2-(4-Bromophenyl)ethyl Alcohol 97.0+%, TCI America™
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CAS: 4654-39-1 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00002897 InChI Key: PMOSJSPFNDUAFY-UHFFFAOYSA-N Synonym: 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol PubChem CID: 72851 IUPAC Name: 2-(4-bromophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)Br
| PubChem CID | 72851 |
|---|---|
| CAS | 4654-39-1 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00002897 |
| SMILES | C1=CC(=CC=C1CCO)Br |
| Synonym | 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol |
| IUPAC Name | 2-(4-bromophenyl)ethanol |
| InChI Key | PMOSJSPFNDUAFY-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
2-Methoxy-4-methylphenol 98.0+%, TCI America™
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CAS: 93-51-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002378 InChI Key: PETRWTHZSKVLRE-UHFFFAOYSA-N Synonym: creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene PubChem CID: 7144 IUPAC Name: 2-methoxy-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)OC
| PubChem CID | 7144 |
|---|---|
| CAS | 93-51-6 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00002378 |
| SMILES | CC1=CC(=C(C=C1)O)OC |
| Synonym | creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene |
| IUPAC Name | 2-methoxy-4-methylphenol |
| InChI Key | PETRWTHZSKVLRE-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Ethylphenol 98.0+%, TCI America™
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CAS: 90-00-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002249 InChI Key: IXQGCWUGDFDQMF-UHFFFAOYSA-N Synonym: o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol PubChem CID: 6997 ChEBI: CHEBI:34275 IUPAC Name: 2-ethylphenol SMILES: CCC1=CC=CC=C1O
| PubChem CID | 6997 |
|---|---|
| CAS | 90-00-6 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:34275 |
| MDL Number | MFCD00002249 |
| SMILES | CCC1=CC=CC=C1O |
| Synonym | o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol |
| IUPAC Name | 2-ethylphenol |
| InChI Key | IXQGCWUGDFDQMF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
2-Methoxy-4-ethylphenol 98.0+%, TCI America™
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CAS: 2785-89-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00038714 InChI Key: CHWNEIVBYREQRF-UHFFFAOYSA-N Synonym: 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl PubChem CID: 62465 IUPAC Name: 4-ethyl-2-methoxyphenol SMILES: CCC1=CC=C(O)C(OC)=C1
| PubChem CID | 62465 |
|---|---|
| CAS | 2785-89-9 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00038714 |
| SMILES | CCC1=CC=C(O)C(OC)=C1 |
| Synonym | 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl |
| IUPAC Name | 4-ethyl-2-methoxyphenol |
| InChI Key | CHWNEIVBYREQRF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
m-Cresol 98.0+%, TCI America™
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CAS: 108-39-4 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002302 InChI Key: RLSSMJSEOOYNOY-UHFFFAOYSA-N Synonym: m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol PubChem CID: 342 ChEBI: CHEBI:17231 IUPAC Name: 3-methylphenol SMILES: CC1=CC(=CC=C1)O
| PubChem CID | 342 |
|---|---|
| CAS | 108-39-4 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17231 |
| MDL Number | MFCD00002302 |
| SMILES | CC1=CC(=CC=C1)O |
| Synonym | m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol |
| IUPAC Name | 3-methylphenol |
| InChI Key | RLSSMJSEOOYNOY-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
4-Hydroxymethylbenzoic Acid 98.0+%, TCI America™
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CAS: 3006-96-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00017598 InChI Key: WWYFPDXEIFBNKE-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd PubChem CID: 76360 IUPAC Name: 4-(hydroxymethyl)benzoic acid SMILES: OCC1=CC=C(C=C1)C(O)=O
| PubChem CID | 76360 |
|---|---|
| CAS | 3006-96-0 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00017598 |
| SMILES | OCC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd |
| IUPAC Name | 4-(hydroxymethyl)benzoic acid |
| InChI Key | WWYFPDXEIFBNKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Cyanobenzoic Acid 98.0+%, TCI America™
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CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O
| PubChem CID | 12087 |
|---|---|
| CAS | 619-65-8 |
| Molecular Weight (g/mol) | 147.133 |
| MDL Number | MFCD00002528 |
| SMILES | C1=CC(=CC=C1C#N)C(=O)O |
| Synonym | p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid |
| IUPAC Name | 4-cyanobenzoic acid |
| InChI Key | ADCUEPOHPCPMCE-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
Diclazuril 98.0+%, TCI America™
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CAS: 101831-37-2 Molecular Formula: C17H9Cl3N4O2 Molecular Weight (g/mol): 407.635 MDL Number: MFCD00867203 InChI Key: ZSZFUDFOPOMEET-UHFFFAOYSA-N Synonym: 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile PubChem CID: 456389 IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
| PubChem CID | 456389 |
|---|---|
| CAS | 101831-37-2 |
| Molecular Weight (g/mol) | 407.635 |
| MDL Number | MFCD00867203 |
| SMILES | C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl |
| Synonym | 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile |
| IUPAC Name | 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile |
| InChI Key | ZSZFUDFOPOMEET-UHFFFAOYSA-N |
| Molecular Formula | C17H9Cl3N4O2 |
2,6-Dimethylnitrobenzene 99.0+%, TCI America™
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CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]
| PubChem CID | 6672 |
|---|---|
| CAS | 81-20-9 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007181 |
| SMILES | CC1=C(C(=CC=C1)C)[N+](=O)[O-] |
| Synonym | 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 |
| IUPAC Name | 1,3-dimethyl-2-nitrobenzene |
| InChI Key | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Sulfacetamide Sodium Salt Hydrate 98.0+%, TCI America™
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CAS: 127-56-0 Molecular Formula: C8H9N2NaO3S Molecular Weight (g/mol): 236.22 MDL Number: MFCD00149555 InChI Key: PQMSFAORUFMASU-UHFFFAOYSA-M Synonym: N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt PubChem CID: 4022878 ChEBI: CHEBI:9327 IUPAC Name: sodium acetyl(4-aminobenzenesulfonyl)azanide SMILES: [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1
| PubChem CID | 4022878 |
|---|---|
| CAS | 127-56-0 |
| Molecular Weight (g/mol) | 236.22 |
| ChEBI | CHEBI:9327 |
| MDL Number | MFCD00149555 |
| SMILES | [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1 |
| Synonym | N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt |
| IUPAC Name | sodium acetyl(4-aminobenzenesulfonyl)azanide |
| InChI Key | PQMSFAORUFMASU-UHFFFAOYSA-M |
| Molecular Formula | C8H9N2NaO3S |
trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile 98.0+%, TCI America™
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CAS: 300364-84-5 Molecular Formula: C17H18N2 Molecular Weight (g/mol): 250.345 MDL Number: MFCD03453260 InChI Key: OIASAVWSBWJWBR-UKTHLTGXSA-N Synonym: DCTB PubChem CID: 6382826 ChEBI: CHEBI:64343 IUPAC Name: 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile SMILES: CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N
| PubChem CID | 6382826 |
|---|---|
| CAS | 300364-84-5 |
| Molecular Weight (g/mol) | 250.345 |
| ChEBI | CHEBI:64343 |
| MDL Number | MFCD03453260 |
| SMILES | CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N |
| Synonym | DCTB |
| IUPAC Name | 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile |
| InChI Key | OIASAVWSBWJWBR-UKTHLTGXSA-N |
| Molecular Formula | C17H18N2 |
5-Hydroxy-1,4-naphthoquinone 96.0+%, TCI America™
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CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxy-1,4-dihydronaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O
| PubChem CID | 3806 |
|---|---|
| CAS | 481-39-0 |
| Molecular Weight (g/mol) | 174.16 |
| ChEBI | CHEBI:15794 |
| MDL Number | MFCD00001684 |
| SMILES | OC1=CC=CC2=C1C(=O)C=CC2=O |
| Synonym | juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon |
| IUPAC Name | 5-hydroxy-1,4-dihydronaphthalene-1,4-dione |
| InChI Key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
2-Aminofluorene 98.0+%, TCI America™
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CAS: 153-78-6 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001125 InChI Key: CFRFHWQYWJMEJN-UHFFFAOYSA-N Synonym: 2-aminofluorene,2-fluorenamine,aminofluoren,2-fluoreneamine,fluorene, 2-amino,fluoren-2-amine,2-fluorenylamine,2-fluroenylamine,fluoren-2-ylamine,aminofluoren german PubChem CID: 1539 IUPAC Name: 9H-fluoren-2-amine SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)N
| PubChem CID | 1539 |
|---|---|
| CAS | 153-78-6 |
| Molecular Weight (g/mol) | 181.238 |
| MDL Number | MFCD00001125 |
| SMILES | C1C2=CC=CC=C2C3=C1C=C(C=C3)N |
| Synonym | 2-aminofluorene,2-fluorenamine,aminofluoren,2-fluoreneamine,fluorene, 2-amino,fluoren-2-amine,2-fluorenylamine,2-fluroenylamine,fluoren-2-ylamine,aminofluoren german |
| IUPAC Name | 9H-fluoren-2-amine |
| InChI Key | CFRFHWQYWJMEJN-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
Potassium 2,4,5-Trichlorophenoxyacetate 98.0+%, TCI America™
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CAS: 37785-57-2 Molecular Formula: C8H4Cl3KO3 Molecular Weight (g/mol): 293.565 MDL Number: MFCD00191590 InChI Key: LUDUIQAQFKIYND-UHFFFAOYSA-M Synonym: 2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt PubChem CID: 23684557 IUPAC Name: potassium;2-(2,4,5-trichlorophenoxy)acetate SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]
| PubChem CID | 23684557 |
|---|---|
| CAS | 37785-57-2 |
| Molecular Weight (g/mol) | 293.565 |
| MDL Number | MFCD00191590 |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+] |
| Synonym | 2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt |
| IUPAC Name | potassium;2-(2,4,5-trichlorophenoxy)acetate |
| InChI Key | LUDUIQAQFKIYND-UHFFFAOYSA-M |
| Molecular Formula | C8H4Cl3KO3 |