Benzenoids
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2-Fluorothioanisole 98.0+%, TCI America™
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CAS: 655-20-9 Molecular Formula: C7H7FS Molecular Weight (g/mol): 142.19 MDL Number: MFCD03093762 InChI Key: AYTSELVZWGHUEE-UHFFFAOYSA-N Synonym: 2-Fluorophenyl Methyl Sulfide, 1-Fluoro-2-(methylthio)benzene PubChem CID: 2774762 IUPAC Name: 1-fluoro-2-(methylsulfanyl)benzene SMILES: CSC1=CC=CC=C1F
| PubChem CID | 2774762 |
|---|---|
| CAS | 655-20-9 |
| Molecular Weight (g/mol) | 142.19 |
| MDL Number | MFCD03093762 |
| SMILES | CSC1=CC=CC=C1F |
| Synonym | 2-Fluorophenyl Methyl Sulfide, 1-Fluoro-2-(methylthio)benzene |
| IUPAC Name | 1-fluoro-2-(methylsulfanyl)benzene |
| InChI Key | AYTSELVZWGHUEE-UHFFFAOYSA-N |
| Molecular Formula | C7H7FS |
4-Hydroxybenzenesulfonamide 97.0+%, TCI America™
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CAS: 1576-43-8 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00059190 InChI Key: DIRCLGLKRZLKHG-UHFFFAOYSA-N Synonym: p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide PubChem CID: 74093 IUPAC Name: 4-hydroxybenzenesulfonamide SMILES: C1=CC(=CC=C1O)S(=O)(=O)N
| PubChem CID | 74093 |
|---|---|
| CAS | 1576-43-8 |
| Molecular Weight (g/mol) | 173.186 |
| MDL Number | MFCD00059190 |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)N |
| Synonym | p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide |
| IUPAC Name | 4-hydroxybenzenesulfonamide |
| InChI Key | DIRCLGLKRZLKHG-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
1-Fluoro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 1077-01-6 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236323 InChI Key: AUKDFDQPJWJEDH-UHFFFAOYSA-N PubChem CID: 2777286 IUPAC Name: 1-fluoro-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)F)OC(F)(F)F
| PubChem CID | 2777286 |
|---|---|
| CAS | 1077-01-6 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD00236323 |
| SMILES | C1=CC(=CC(=C1)F)OC(F)(F)F |
| IUPAC Name | 1-fluoro-3-(trifluoromethoxy)benzene |
| InChI Key | AUKDFDQPJWJEDH-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
Mesityl Bromide 99.0+%, TCI America™
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CAS: 576-83-0 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00000073 InChI Key: RRTLQRYOJOSPEA-UHFFFAOYSA-N Synonym: 2-bromomesitylene,2,4,6-trimethylbromobenzene,mesityl bromide,bromomesitylene,benzene, 2-bromo-1,3,5-trimethyl,2,4,6-trimethybromombenzene,mesitylene, 2-bromo,2,4,6-trimethylphenyl bromide,1-bromo-2,4,6-trimethylbenzene,2-bromo-1,3,5-trimethyl-benzene PubChem CID: 68473 IUPAC Name: 2-bromo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)Br)C
| PubChem CID | 68473 |
|---|---|
| CAS | 576-83-0 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00000073 |
| SMILES | CC1=CC(=C(C(=C1)C)Br)C |
| Synonym | 2-bromomesitylene,2,4,6-trimethylbromobenzene,mesityl bromide,bromomesitylene,benzene, 2-bromo-1,3,5-trimethyl,2,4,6-trimethybromombenzene,mesitylene, 2-bromo,2,4,6-trimethylphenyl bromide,1-bromo-2,4,6-trimethylbenzene,2-bromo-1,3,5-trimethyl-benzene |
| IUPAC Name | 2-bromo-1,3,5-trimethylbenzene |
| InChI Key | RRTLQRYOJOSPEA-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
1'-Acetonaphthone 98.0+%, TCI America™
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CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21
| PubChem CID | 13663 |
|---|---|
| CAS | 941-98-0 |
| Molecular Weight (g/mol) | 170.211 |
| MDL Number | MFCD00004013 |
| SMILES | CC(=O)C1=CC=CC2=CC=CC=C21 |
| Synonym | 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone |
| IUPAC Name | 1-naphthalen-1-ylethanone |
| InChI Key | QQLIGMASAVJVON-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |
3,5-Dinitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 401-99-0 Molecular Formula: C7H3F3N2O4 Molecular Weight (g/mol): 236.106 MDL Number: MFCD00007233 InChI Key: QZADIXWDDVQVKM-UHFFFAOYSA-N PubChem CID: 123060 IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
| PubChem CID | 123060 |
|---|---|
| CAS | 401-99-0 |
| Molecular Weight (g/mol) | 236.106 |
| MDL Number | MFCD00007233 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| IUPAC Name | 1,3-dinitro-5-(trifluoromethyl)benzene |
| InChI Key | QZADIXWDDVQVKM-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3N2O4 |
3,4-Dimethylbenzophenone 98.0+%, TCI America™
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CAS: 2571-39-3 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00008525 InChI Key: JENOLWCGNVWTJN-UHFFFAOYSA-N Synonym: 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl PubChem CID: 75730 IUPAC Name: (3,4-dimethylphenyl)(phenyl)methanone SMILES: CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1
| PubChem CID | 75730 |
|---|---|
| CAS | 2571-39-3 |
| Molecular Weight (g/mol) | 210.28 |
| MDL Number | MFCD00008525 |
| SMILES | CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1 |
| Synonym | 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl |
| IUPAC Name | (3,4-dimethylphenyl)(phenyl)methanone |
| InChI Key | JENOLWCGNVWTJN-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
4-Butyl-4'-cyanobiphenyl 98.0+%, TCI America™
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5-(4-Bromophenyl)-2-furaldehyde 94.0+%, TCI America™
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CAS: 20005-42-9 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 MDL Number: MFCD00239387 InChI Key: QRTAOOSYSVHQGT-UHFFFAOYSA-N Synonym: 5-4-bromophenyl furan-2-carbaldehyde,5-4-bromophenyl furfural,5-4-bromophenyl-2-furaldehyde,5-4-bromophenyl-2-furancarboxaldehyde,5-4-bromophenyl-2-furancarbaldehyde,2-furancarboxaldehyde, 5-4-bromophenyl,5-4-bromo-phenyl-furan-2-carbaldehyde,5-p-bromophenyl furancarboxaldehyde,5-p-bromophenyl furfural,5-4-bromo-phenyl-furfural PubChem CID: 619577 IUPAC Name: 5-(4-bromophenyl)furan-2-carbaldehyde SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
| PubChem CID | 619577 |
|---|---|
| CAS | 20005-42-9 |
| Molecular Weight (g/mol) | 251.079 |
| MDL Number | MFCD00239387 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=O)Br |
| Synonym | 5-4-bromophenyl furan-2-carbaldehyde,5-4-bromophenyl furfural,5-4-bromophenyl-2-furaldehyde,5-4-bromophenyl-2-furancarboxaldehyde,5-4-bromophenyl-2-furancarbaldehyde,2-furancarboxaldehyde, 5-4-bromophenyl,5-4-bromo-phenyl-furan-2-carbaldehyde,5-p-bromophenyl furancarboxaldehyde,5-p-bromophenyl furfural,5-4-bromo-phenyl-furfural |
| IUPAC Name | 5-(4-bromophenyl)furan-2-carbaldehyde |
| InChI Key | QRTAOOSYSVHQGT-UHFFFAOYSA-N |
| Molecular Formula | C11H7BrO2 |
3-(Trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
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CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
| PubChem CID | 75257 |
|---|---|
| CAS | 2251-65-2 |
| Molecular Weight (g/mol) | 208.564 |
| MDL Number | MFCD00000680 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
| Synonym | 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 |
| IUPAC Name | 3-(trifluoromethyl)benzoyl chloride |
| InChI Key | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
3,4,5-Trimethoxybenzonitrile 98.0+%, TCI America™
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CAS: 1885-35-4 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00001803 InChI Key: OSBQUSPVORCDCU-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzenecarbonitrile,benzonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxy-benzonitrile,pubchem13110,3,4,5-trimethoxybenz,timtec-bb sbb007562,acmc-1bs5l,2,5-trimethoxybenzonitrile,3,5-trimethoxybenzonitrile,benzonitrile,4,5-trimethoxy PubChem CID: 15892 IUPAC Name: 3,4,5-trimethoxybenzonitrile SMILES: COC1=CC(=CC(=C1OC)OC)C#N
| PubChem CID | 15892 |
|---|---|
| CAS | 1885-35-4 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00001803 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C#N |
| Synonym | 3,4,5-trimethoxybenzenecarbonitrile,benzonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxy-benzonitrile,pubchem13110,3,4,5-trimethoxybenz,timtec-bb sbb007562,acmc-1bs5l,2,5-trimethoxybenzonitrile,3,5-trimethoxybenzonitrile,benzonitrile,4,5-trimethoxy |
| IUPAC Name | 3,4,5-trimethoxybenzonitrile |
| InChI Key | OSBQUSPVORCDCU-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
2,3-Dimethoxybenzyl Alcohol 98.0+%, TCI America™
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CAS: 5653-67-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004612 InChI Key: CRLBBOBKCLYCJK-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # PubChem CID: 79738 IUPAC Name: (2,3-dimethoxyphenyl)methanol SMILES: COC1=CC=CC(=C1OC)CO
| PubChem CID | 79738 |
|---|---|
| CAS | 5653-67-8 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004612 |
| SMILES | COC1=CC=CC(=C1OC)CO |
| Synonym | 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # |
| IUPAC Name | (2,3-dimethoxyphenyl)methanol |
| InChI Key | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
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CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Isoamyl 4-Hydroxybenzoate 98.0+%, TCI America™
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CAS: 6521-30-8 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00017502 InChI Key: KSHVDKDQYBNSAN-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate PubChem CID: 81009 IUPAC Name: 3-methylbutyl 4-hydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 81009 |
|---|---|
| CAS | 6521-30-8 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00017502 |
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate |
| IUPAC Name | 3-methylbutyl 4-hydroxybenzoate |
| InChI Key | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
Methyl 3,5-Dibromo-4-hydroxybenzoate Monohydrate 99.0+%, TCI America™
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CAS: 41727-47-3 Molecular Formula: C8H6Br2O3 Molecular Weight (g/mol): 309.941 MDL Number: MFCD00016416 InChI Key: NVGJGYZKXBLIKY-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-hydroxybenzoic acid methyl ester,3,5-dibromo-4-hydroxy-benzoic acid methyl ester,methyl 3,5-bis bromanyl-4-oxidanyl-benzoate,acmc-20akhs,pubchem3978,methyl dibromosalicylate,rarechem al bf 0231,timtec-bb sbb012530,labotest-bb lt00455670,labotest-bb lt03332530 PubChem CID: 726975 IUPAC Name: methyl 3,5-dibromo-4-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)O)Br
| PubChem CID | 726975 |
|---|---|
| CAS | 41727-47-3 |
| Molecular Weight (g/mol) | 309.941 |
| MDL Number | MFCD00016416 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)Br)O)Br |
| Synonym | 3,5-dibromo-4-hydroxybenzoic acid methyl ester,3,5-dibromo-4-hydroxy-benzoic acid methyl ester,methyl 3,5-bis bromanyl-4-oxidanyl-benzoate,acmc-20akhs,pubchem3978,methyl dibromosalicylate,rarechem al bf 0231,timtec-bb sbb012530,labotest-bb lt00455670,labotest-bb lt03332530 |
| IUPAC Name | methyl 3,5-dibromo-4-hydroxybenzoate |
| InChI Key | NVGJGYZKXBLIKY-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O3 |