Benzenoids
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2-Iodocumene 98.0+%, TCI America™
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2-Methyl-3-nitroaniline 98.0+%, TCI America™
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CAS: 603-83-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007731 InChI Key: HFCFJYRLBAANKN-UHFFFAOYSA-N Synonym: 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine PubChem CID: 11783 IUPAC Name: 2-methyl-3-nitroaniline SMILES: CC1=C(N)C=CC=C1[N+]([O-])=O
| PubChem CID | 11783 |
|---|---|
| CAS | 603-83-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00007731 |
| SMILES | CC1=C(N)C=CC=C1[N+]([O-])=O |
| Synonym | 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine |
| IUPAC Name | 2-methyl-3-nitroaniline |
| InChI Key | HFCFJYRLBAANKN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4'-Chlorobenzophenone-2-carboxylic Acid 98.0+%, TCI America™
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CAS: 85-56-3 Molecular Formula: C14H9ClO3 Molecular Weight (g/mol): 260.673 MDL Number: MFCD00002474 InChI Key: YWECCEXWKFHHQJ-UHFFFAOYSA-N Synonym: 2-4-chlorobenzoyl benzoic acid,benzoic acid, 2-4-chlorobenzoyl,o-p-chlorobenzoyl benzoic acid,2-p-chlorobenzoyl benzoic acid,o-4-chlorobenzoyl benzoic acid,2-4'-chlorobenzoyl benzoic acid,unii-3u7w4yoy3r,3u7w4yoy3r,chembl81936,2-4-chloro-benzoyl-benzoic acid PubChem CID: 66564 IUPAC Name: 2-(4-chlorobenzoyl)benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
| PubChem CID | 66564 |
|---|---|
| CAS | 85-56-3 |
| Molecular Weight (g/mol) | 260.673 |
| MDL Number | MFCD00002474 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| Synonym | 2-4-chlorobenzoyl benzoic acid,benzoic acid, 2-4-chlorobenzoyl,o-p-chlorobenzoyl benzoic acid,2-p-chlorobenzoyl benzoic acid,o-4-chlorobenzoyl benzoic acid,2-4'-chlorobenzoyl benzoic acid,unii-3u7w4yoy3r,3u7w4yoy3r,chembl81936,2-4-chloro-benzoyl-benzoic acid |
| IUPAC Name | 2-(4-chlorobenzoyl)benzoic acid |
| InChI Key | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9ClO3 |
Phenylsulfonylacetonitrile 98.0+%, TCI America™
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CAS: 7605-28-9 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.209 MDL Number: MFCD00007550 InChI Key: ZFCFFNGBCVAUDE-UHFFFAOYSA-N Synonym: benzenesulfonylacetonitrile,phenylsulfonyl acetonitrile,2-phenylsulfonyl acetonitrile,phenylsulfonylacetonitrile,2-benzenesulfonyl acetonitrile,phenylsulphonylacetonitrile,acetonitrile, phenylsulfonyl,benzenesulphonyl acetonitrile,benzenesulfonyl-acetonitrile,2-phenylsulfonyl ethanenitrile PubChem CID: 82077 IUPAC Name: 2-(benzenesulfonyl)acetonitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CC#N
| PubChem CID | 82077 |
|---|---|
| CAS | 7605-28-9 |
| Molecular Weight (g/mol) | 181.209 |
| MDL Number | MFCD00007550 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC#N |
| Synonym | benzenesulfonylacetonitrile,phenylsulfonyl acetonitrile,2-phenylsulfonyl acetonitrile,phenylsulfonylacetonitrile,2-benzenesulfonyl acetonitrile,phenylsulphonylacetonitrile,acetonitrile, phenylsulfonyl,benzenesulphonyl acetonitrile,benzenesulfonyl-acetonitrile,2-phenylsulfonyl ethanenitrile |
| IUPAC Name | 2-(benzenesulfonyl)acetonitrile |
| InChI Key | ZFCFFNGBCVAUDE-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2S |
4-Amylbenzoic Acid 98.0+%, TCI America™
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CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 33479 |
|---|---|
| CAS | 26311-45-5 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00002572 |
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid |
| IUPAC Name | 4-pentylbenzoic acid |
| InChI Key | CWYNKKGQJYAHQG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
5-Bromo-2-iodotoluene 98.0+%, TCI America™
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CAS: 116632-39-4 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 MDL Number: MFCD00060664 InChI Key: GHTUADBHTFHMNI-UHFFFAOYSA-N Synonym: 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene PubChem CID: 2724601 IUPAC Name: 4-bromo-1-iodo-2-methylbenzene SMILES: CC1=CC(Br)=CC=C1I
| PubChem CID | 2724601 |
|---|---|
| CAS | 116632-39-4 |
| Molecular Weight (g/mol) | 296.93 |
| MDL Number | MFCD00060664 |
| SMILES | CC1=CC(Br)=CC=C1I |
| Synonym | 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene |
| IUPAC Name | 4-bromo-1-iodo-2-methylbenzene |
| InChI Key | GHTUADBHTFHMNI-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
3,4-Dimethoxybenzonitrile 98.0+%, TCI America™
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CAS: 2024-83-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001802 InChI Key: OSEQIDSFSBWXRE-UHFFFAOYSA-N Synonym: veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole PubChem CID: 74842 IUPAC Name: 3,4-dimethoxybenzonitrile SMILES: COC1=CC=C(C=C1OC)C#N
| PubChem CID | 74842 |
|---|---|
| CAS | 2024-83-1 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00001802 |
| SMILES | COC1=CC=C(C=C1OC)C#N |
| Synonym | veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole |
| IUPAC Name | 3,4-dimethoxybenzonitrile |
| InChI Key | OSEQIDSFSBWXRE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
3-(Trifluoromethoxy)aniline 98.0+%, TCI America™
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CAS: 1535-73-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 InChI Key: SADHVOSOZBAAGL-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy aniline,3-trifluoromethoxy-phenylamine,m-aminophenyl trifluoromethyl ether,m-trifluoromethoxy aniline,benzenamine, 3-trifluoromethoxy,alpha,alpha,alpha-trifluoro-m-anisidine,3-trifluoromethoxy benzenamine,3-trifluoromethoxy phenylamine,pubchem4507 PubChem CID: 73753 IUPAC Name: 3-(trifluoromethoxy)aniline SMILES: C1=CC(=CC(=C1)OC(F)(F)F)N
| PubChem CID | 73753 |
|---|---|
| CAS | 1535-73-5 |
| Molecular Weight (g/mol) | 177.126 |
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)N |
| Synonym | 3-trifluoromethoxy aniline,3-trifluoromethoxy-phenylamine,m-aminophenyl trifluoromethyl ether,m-trifluoromethoxy aniline,benzenamine, 3-trifluoromethoxy,alpha,alpha,alpha-trifluoro-m-anisidine,3-trifluoromethoxy benzenamine,3-trifluoromethoxy phenylamine,pubchem4507 |
| IUPAC Name | 3-(trifluoromethoxy)aniline |
| InChI Key | SADHVOSOZBAAGL-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
2,4,6-Tris(3-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™
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CAS: 890148-78-4 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 InChI Key: IWHHYACTSSPXDV-UHFFFAOYSA-N PubChem CID: 57872377 IUPAC Name: 2,4,6-tris(3-bromophenyl)-1,3,5-triazine SMILES: C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
| PubChem CID | 57872377 |
|---|---|
| CAS | 890148-78-4 |
| Molecular Weight (g/mol) | 546.06 |
| SMILES | C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br |
| IUPAC Name | 2,4,6-tris(3-bromophenyl)-1,3,5-triazine |
| InChI Key | IWHHYACTSSPXDV-UHFFFAOYSA-N |
| Molecular Formula | C21H12Br3N3 |
4-Acetamidobenzaldehyde 98.0+%, TCI America™
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CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O
| PubChem CID | 73942 |
|---|---|
| CAS | 122-85-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00003380 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C=O |
| Synonym | 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde |
| IUPAC Name | N-(4-formylphenyl)acetamide |
| InChI Key | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
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CAS: 362670-07-3 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD07787180 InChI Key: FELBQUPQCJZQQX-UHFFFAOYSA-N Synonym: N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 53420357 IUPAC Name: tert-butyl N-(2-amino-5-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1
| PubChem CID | 53420357 |
|---|---|
| CAS | 362670-07-3 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD07787180 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1 |
| Synonym | N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-5-fluorophenyl)carbamate |
| InChI Key | FELBQUPQCJZQQX-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |
4-Octadecyloxybiphenyl 98.0+%, TCI America™
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CAS: 376609-78-8 Molecular Formula: C30H46O Molecular Weight (g/mol): 422.697 MDL Number: MFCD01321145 InChI Key: WJPFTOGDAJEWPP-UHFFFAOYSA-N Synonym: Biphenyl-4-yl Octadecyl Ether, Biphenyl-4-yl Stearyl Ether, 4-Stearyloxybiphenyl PubChem CID: 22899691 IUPAC Name: 1-octadecoxy-4-phenylbenzene SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 22899691 |
|---|---|
| CAS | 376609-78-8 |
| Molecular Weight (g/mol) | 422.697 |
| MDL Number | MFCD01321145 |
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2 |
| Synonym | Biphenyl-4-yl Octadecyl Ether, Biphenyl-4-yl Stearyl Ether, 4-Stearyloxybiphenyl |
| IUPAC Name | 1-octadecoxy-4-phenylbenzene |
| InChI Key | WJPFTOGDAJEWPP-UHFFFAOYSA-N |
| Molecular Formula | C30H46O |
1-Benzyl-3-pyrrolidinol 96.0+%, TCI America™
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CAS: 775-15-5 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00012132 InChI Key: YQMXOIAIYXXXEE-UHFFFAOYSA-N PubChem CID: 69889 IUPAC Name: 1-benzylpyrrolidin-3-ol SMILES: C1CN(CC1O)CC2=CC=CC=C2
| PubChem CID | 69889 |
|---|---|
| CAS | 775-15-5 |
| Molecular Weight (g/mol) | 177.247 |
| MDL Number | MFCD00012132 |
| SMILES | C1CN(CC1O)CC2=CC=CC=C2 |
| IUPAC Name | 1-benzylpyrrolidin-3-ol |
| InChI Key | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
Tri(m-tolyl)phosphine 98.0+%, TCI America™
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CAS: 6224-63-1 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.373 MDL Number: MFCD00008532 InChI Key: LFNXCUNDYSYVJY-UHFFFAOYSA-N Synonym: tri-m-tolylphosphine,tris 3-methylphenyl phosphine,tri m-tolyl phosphine,phosphine, tris 3-methylphenyl,tris m-tolyl phosphine,phosphine, tri-m-tolyl,tris 3-methylphenyl phosphane,tris 3-tolyl phosphine,tri-m-tolyl-phosphane,tri-m-tolylphosphane PubChem CID: 80362 IUPAC Name: tris(3-methylphenyl)phosphane SMILES: CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C
| PubChem CID | 80362 |
|---|---|
| CAS | 6224-63-1 |
| Molecular Weight (g/mol) | 304.373 |
| MDL Number | MFCD00008532 |
| SMILES | CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C |
| Synonym | tri-m-tolylphosphine,tris 3-methylphenyl phosphine,tri m-tolyl phosphine,phosphine, tris 3-methylphenyl,tris m-tolyl phosphine,phosphine, tri-m-tolyl,tris 3-methylphenyl phosphane,tris 3-tolyl phosphine,tri-m-tolyl-phosphane,tri-m-tolylphosphane |
| IUPAC Name | tris(3-methylphenyl)phosphane |
| InChI Key | LFNXCUNDYSYVJY-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |
N-(3-Trifluoromethylphenyl)anthranilic Acid 98.0+%, TCI America™
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CAS: 530-78-9 Molecular Formula: C14H10F3NO2 Molecular Weight (g/mol): 281.234 MDL Number: MFCD00002422 InChI Key: LPEPZBJOKDYZAD-UHFFFAOYSA-N Synonym: flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene PubChem CID: 3371 ChEBI: CHEBI:42638 IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
| PubChem CID | 3371 |
|---|---|
| CAS | 530-78-9 |
| Molecular Weight (g/mol) | 281.234 |
| ChEBI | CHEBI:42638 |
| MDL Number | MFCD00002422 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F |
| Synonym | flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene |
| IUPAC Name | 2-[3-(trifluoromethyl)anilino]benzoic acid |
| InChI Key | LPEPZBJOKDYZAD-UHFFFAOYSA-N |
| Molecular Formula | C14H10F3NO2 |