Benzenoids
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4-Bromophenylacetone 98.0+%, TCI America™
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CAS: 6186-22-7 Molecular Formula: C24H24N2O5S Molecular Weight (g/mol): 452.53 MDL Number: MFCD00210401 InChI Key: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonym: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone PubChem CID: 736332 IUPAC Name: methyl 2-{2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamido}benzoate SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
| PubChem CID | 736332 |
|---|---|
| CAS | 6186-22-7 |
| Molecular Weight (g/mol) | 452.53 |
| MDL Number | MFCD00210401 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1 |
| Synonym | 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone |
| IUPAC Name | methyl 2-{2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamido}benzoate |
| InChI Key | CDUPPXGKUKTGLU-UHFFFAOYSA-N |
| Molecular Formula | C24H24N2O5S |
2,4,5-Trifluorobenzaldehyde 98.0+%, TCI America™
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CAS: 165047-24-5 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061196 InChI Key: CYIFJRXFYSUBFW-UHFFFAOYSA-N Synonym: 2,4,5-trifluoro benzaldehyde,benzaldehyde, 2,4,5-trifluoro,benzaldehyde, 2,4,5-trifluoro-9ci,pubchem1468,pubchem4258,intermediates-zcf02238,acmc-209ds3,2,4,5-trifluorbenzaldehyde,2,4,5-trifluorobenzoaldehyde,ksc494i3d PubChem CID: 519278 IUPAC Name: 2,4,5-trifluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)F)F)C=O
| PubChem CID | 519278 |
|---|---|
| CAS | 165047-24-5 |
| Molecular Weight (g/mol) | 160.095 |
| MDL Number | MFCD00061196 |
| SMILES | C1=C(C(=CC(=C1F)F)F)C=O |
| Synonym | 2,4,5-trifluoro benzaldehyde,benzaldehyde, 2,4,5-trifluoro,benzaldehyde, 2,4,5-trifluoro-9ci,pubchem1468,pubchem4258,intermediates-zcf02238,acmc-209ds3,2,4,5-trifluorbenzaldehyde,2,4,5-trifluorobenzoaldehyde,ksc494i3d |
| IUPAC Name | 2,4,5-trifluorobenzaldehyde |
| InChI Key | CYIFJRXFYSUBFW-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |
2,5-Bis(trifluoromethyl)aniline 98.0+%, TCI America™
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CAS: 328-93-8 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.13 MDL Number: MFCD00074940 InChI Key: XWMVIJUAZAEWIE-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine PubChem CID: 719818 IUPAC Name: 2,5-bis(trifluoromethyl)aniline SMILES: NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 719818 |
|---|---|
| CAS | 328-93-8 |
| Molecular Weight (g/mol) | 229.13 |
| MDL Number | MFCD00074940 |
| SMILES | NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine |
| IUPAC Name | 2,5-bis(trifluoromethyl)aniline |
| InChI Key | XWMVIJUAZAEWIE-UHFFFAOYSA-N |
| Molecular Formula | C8H5F6N |
3,5-Dichlorobenzenesulfonamide 98.0+%, TCI America™
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CAS: 19797-32-1 Molecular Formula: C6H5Cl2NO2S Molecular Weight (g/mol): 226.071 MDL Number: MFCD00117161 InChI Key: AHNOVNYOUPQVRX-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzene-1-sulfonamide,3,5-dichlorobenzenesulphonamide,benzenesulfonamide, 3,5-dichloro,3,5-bis chloranyl benzenesulfonamide,pubchem11789,maybridge1_001366,acmc-209f2d,spr_4,benzenesulfonamide,3,5-dichloro,3,5-dichlorobenzenesulfonamide PubChem CID: 705607 IUPAC Name: 3,5-dichlorobenzenesulfonamide SMILES: C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)N
| PubChem CID | 705607 |
|---|---|
| CAS | 19797-32-1 |
| Molecular Weight (g/mol) | 226.071 |
| MDL Number | MFCD00117161 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)N |
| Synonym | 3,5-dichlorobenzene-1-sulfonamide,3,5-dichlorobenzenesulphonamide,benzenesulfonamide, 3,5-dichloro,3,5-bis chloranyl benzenesulfonamide,pubchem11789,maybridge1_001366,acmc-209f2d,spr_4,benzenesulfonamide,3,5-dichloro,3,5-dichlorobenzenesulfonamide |
| IUPAC Name | 3,5-dichlorobenzenesulfonamide |
| InChI Key | AHNOVNYOUPQVRX-UHFFFAOYSA-N |
| Molecular Formula | C6H5Cl2NO2S |
2-Bromo-5-fluorotoluene 98.0+%, TCI America™
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CAS: 452-63-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00017921 InChI Key: RJPNVPITBYXBNB-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorotoluene,3-fluoro-6-bromotoluene,2-bromo-5-fluoro toluene,benzene, 1-bromo-4-fluoro-2-methyl,5-fluoro-2-bromotoluene,1-bromo-4-fluoro-2-methyl-benzene,pubchem1603,2-bromo-5fluorotoluene,acmc-1acnn,2-bromo-5-fluoro-toluene PubChem CID: 96743 IUPAC Name: 1-bromo-4-fluoro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)F)Br
| PubChem CID | 96743 |
|---|---|
| CAS | 452-63-1 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00017921 |
| SMILES | CC1=C(C=CC(=C1)F)Br |
| Synonym | 2-bromo-5-fluorotoluene,3-fluoro-6-bromotoluene,2-bromo-5-fluoro toluene,benzene, 1-bromo-4-fluoro-2-methyl,5-fluoro-2-bromotoluene,1-bromo-4-fluoro-2-methyl-benzene,pubchem1603,2-bromo-5fluorotoluene,acmc-1acnn,2-bromo-5-fluoro-toluene |
| IUPAC Name | 1-bromo-4-fluoro-2-methylbenzene |
| InChI Key | RJPNVPITBYXBNB-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
4-Bromo-1,2-dimethoxybenzene 97.0+%, TCI America™
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CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC
| PubChem CID | 76114 |
|---|---|
| CAS | 2859-78-1 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD00008381 |
| SMILES | COC1=C(C=C(C=C1)Br)OC |
| Synonym | 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol |
| IUPAC Name | 4-bromo-1,2-dimethoxybenzene |
| InChI Key | KBTMGSMZIKLAHN-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
2-Bromo-5-fluoroaniline 98.0+%, TCI America™
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CAS: 1003-99-2 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00070750 InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 PubChem CID: 2773317 IUPAC Name: 2-bromo-5-fluoroaniline SMILES: C1=CC(=C(C=C1F)N)Br
| PubChem CID | 2773317 |
|---|---|
| CAS | 1003-99-2 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00070750 |
| SMILES | C1=CC(=C(C=C1F)N)Br |
| Synonym | benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 |
| IUPAC Name | 2-bromo-5-fluoroaniline |
| InChI Key | FWTXFEKVHSFTDQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
4-Bromophthalonitrile 97.0+%, TCI America™
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CAS: 70484-01-4 Molecular Formula: C8H3BrN2 Molecular Weight (g/mol): 207.03 MDL Number: MFCD00221794 InChI Key: ARAONWRSVQOHIT-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-dicyanobenzene PubChem CID: 11356223 IUPAC Name: 4-bromobenzene-1,2-dicarbonitrile SMILES: BrC1=CC(C#N)=C(C=C1)C#N
| PubChem CID | 11356223 |
|---|---|
| CAS | 70484-01-4 |
| Molecular Weight (g/mol) | 207.03 |
| MDL Number | MFCD00221794 |
| SMILES | BrC1=CC(C#N)=C(C=C1)C#N |
| Synonym | 4-Bromo-1,2-dicyanobenzene |
| IUPAC Name | 4-bromobenzene-1,2-dicarbonitrile |
| InChI Key | ARAONWRSVQOHIT-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrN2 |
2-Methoxy-4-nitrotoluene 98.0+%, TCI America™
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CAS: 13120-77-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00043912 InChI Key: WVQGZNRUEVFXKR-UHFFFAOYSA-N Synonym: 1-Methoxy-2-methyl-5-nitrobenzene, 2-Methyl-5-nitroanisole PubChem CID: 83159 IUPAC Name: 2-methoxy-1-methyl-4-nitrobenzene SMILES: COC1=CC(=CC=C1C)[N+]([O-])=O
| PubChem CID | 83159 |
|---|---|
| CAS | 13120-77-9 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00043912 |
| SMILES | COC1=CC(=CC=C1C)[N+]([O-])=O |
| Synonym | 1-Methoxy-2-methyl-5-nitrobenzene, 2-Methyl-5-nitroanisole |
| IUPAC Name | 2-methoxy-1-methyl-4-nitrobenzene |
| InChI Key | WVQGZNRUEVFXKR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
4,5-Dimethoxy-2-nitrobenzyl Alcohol 98.0+%, TCI America™
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CAS: 1016-58-6 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00014701 InChI Key: WBSCOJBVYHQOFB-UHFFFAOYSA-N Synonym: 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol PubChem CID: 66097 IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methanol SMILES: COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC
| PubChem CID | 66097 |
|---|---|
| CAS | 1016-58-6 |
| Molecular Weight (g/mol) | 213.189 |
| MDL Number | MFCD00014701 |
| SMILES | COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC |
| Synonym | 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol |
| IUPAC Name | (4,5-dimethoxy-2-nitrophenyl)methanol |
| InChI Key | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO5 |
4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 3774467 |
|---|---|
| CAS | 99277-71-1 |
| Molecular Weight (g/mol) | 245.01 |
| MDL Number | MFCD01013599 |
| SMILES | [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O |
| Synonym | 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- |
| IUPAC Name | 4-bromo-2-nitrobenzoate |
| InChI Key | ZIRHHEZLJGORGU-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrNO4 |
4-tert-Butylbenzenesulfonamide 98.0+%, TCI America™
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CAS: 6292-59-7 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00068599 InChI Key: KYDZEZNYRFJCSA-UHFFFAOYSA-N PubChem CID: 222872 IUPAC Name: 4-tert-butylbenzenesulfonamide SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 222872 |
|---|---|
| CAS | 6292-59-7 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00068599 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N |
| IUPAC Name | 4-tert-butylbenzenesulfonamide |
| InChI Key | KYDZEZNYRFJCSA-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
2-Nitroanisole 98.0+%, TCI America™
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CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 7048 |
|---|---|
| CAS | 91-23-6 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:48722 |
| MDL Number | MFCD00007096 |
| SMILES | COC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene |
| IUPAC Name | 1-methoxy-2-nitrobenzene |
| InChI Key | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-tert-Butylbenzyl Alcohol 97.0+%, TCI America™
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CAS: 877-65-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00004662 InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol PubChem CID: 13416 IUPAC Name: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO
| PubChem CID | 13416 |
|---|---|
| CAS | 877-65-6 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00004662 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CO |
| Synonym | 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol |
| IUPAC Name | (4-tert-butylphenyl)methanol |
| InChI Key | FVEINXLJOJPHLH-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
Dibenzo[g,p]chrysene 98.0+%, TCI America™
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CAS: 191-68-4 Molecular Formula: C26H16 Molecular Weight (g/mol): 328.414 InChI Key: GQDKQZAEQBGVBS-UHFFFAOYSA-N PubChem CID: 67449 SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
| PubChem CID | 67449 |
|---|---|
| CAS | 191-68-4 |
| Molecular Weight (g/mol) | 328.414 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64 |
| InChI Key | GQDKQZAEQBGVBS-UHFFFAOYSA-N |
| Molecular Formula | C26H16 |