Benzenoids
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[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane) 98.0+%, TCI America™
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CAS: 250734-47-5 Molecular Formula: C19H18BF2IN2 Molecular Weight (g/mol): 450.078 InChI Key: VPZZHCAOEMWMSI-UHFFFAOYSA-N PubChem CID: 25058171 ChEBI: CHEBI:51122 SMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F
| PubChem CID | 25058171 |
|---|---|
| CAS | 250734-47-5 |
| Molecular Weight (g/mol) | 450.078 |
| ChEBI | CHEBI:51122 |
| SMILES | [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F |
| InChI Key | VPZZHCAOEMWMSI-UHFFFAOYSA-N |
| Molecular Formula | C19H18BF2IN2 |
2-Fluoroaniline 99.0+%, TCI America™
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CAS: 348-54-9 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007642 InChI Key: FTZQXOJYPFINKJ-UHFFFAOYSA-N Synonym: o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine PubChem CID: 9584 ChEBI: CHEBI:27526 IUPAC Name: 2-fluoroaniline SMILES: NC1=CC=CC=C1F
| PubChem CID | 9584 |
|---|---|
| CAS | 348-54-9 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:27526 |
| MDL Number | MFCD00007642 |
| SMILES | NC1=CC=CC=C1F |
| Synonym | o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine |
| IUPAC Name | 2-fluoroaniline |
| InChI Key | FTZQXOJYPFINKJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
N,N-Bis(4-bromobenzyl)amine 98.0+%, TCI America™
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CAS: 24898-17-7 Molecular Formula: C14H13Br2N Molecular Weight (g/mol): 355.073 MDL Number: MFCD03093622 InChI Key: DNHBOKSBUKGKMI-UHFFFAOYSA-N PubChem CID: 10601487 IUPAC Name: 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine SMILES: C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)Br
| PubChem CID | 10601487 |
|---|---|
| CAS | 24898-17-7 |
| Molecular Weight (g/mol) | 355.073 |
| MDL Number | MFCD03093622 |
| SMILES | C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)Br |
| IUPAC Name | 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine |
| InChI Key | DNHBOKSBUKGKMI-UHFFFAOYSA-N |
| Molecular Formula | C14H13Br2N |
Diethyl Phthalate 99.0+%, TCI America™
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CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC
| PubChem CID | 6781 |
|---|---|
| CAS | 84-66-2 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:34698 |
| MDL Number | MFCD00009111 |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| Synonym | diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e |
| IUPAC Name | diethyl benzene-1,2-dicarboxylate |
| InChI Key | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
(1-Ethylpropyl)benzene 99.0+%, TCI America™
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CAS: 1196-58-3 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00048663 InChI Key: PBWHJRFXUPLZDS-UHFFFAOYSA-N Synonym: 3-Phenylpentane PubChem CID: 14527 IUPAC Name: (pentan-3-yl)benzene SMILES: CCC(CC)C1=CC=CC=C1
| PubChem CID | 14527 |
|---|---|
| CAS | 1196-58-3 |
| Molecular Weight (g/mol) | 148.25 |
| MDL Number | MFCD00048663 |
| SMILES | CCC(CC)C1=CC=CC=C1 |
| Synonym | 3-Phenylpentane |
| IUPAC Name | (pentan-3-yl)benzene |
| InChI Key | PBWHJRFXUPLZDS-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
3-Chloro-4-fluorobenzyl Bromide 98.0+%, TCI America™
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CAS: 192702-01-5 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD01631551 InChI Key: GGTQWWTYUKXFPP-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene PubChem CID: 2757542 IUPAC Name: 4-(bromomethyl)-2-chloro-1-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1Cl
| PubChem CID | 2757542 |
|---|---|
| CAS | 192702-01-5 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD01631551 |
| SMILES | FC1=CC=C(CBr)C=C1Cl |
| Synonym | 3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene |
| IUPAC Name | 4-(bromomethyl)-2-chloro-1-fluorobenzene |
| InChI Key | GGTQWWTYUKXFPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
N-Ethyl-p-toluenesulfonamide 98.0+%, TCI America™
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CAS: 80-39-7 Molecular Formula: C9H13NO2S Molecular Weight (g/mol): 199.268 InChI Key: OHPZPBNDOVQJMH-UHFFFAOYSA-N Synonym: n-ethyl-p-toluenesulfonamide,santicizer 3,n-tosylethylamine,benzenesulfonamide, n-ethyl-4-methyl,n-ethyl-p-tolylsulfonamide,n-ethyl-4-toluenesulfonamide,p-tolueneethylsulfonamide,ethyl tosylamide,p-toluenesulfonyl-n-ethylamide,n-ethyl-p-methylbenzenesulfonamide PubChem CID: 6637 IUPAC Name: N-ethyl-4-methylbenzenesulfonamide SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)C
| PubChem CID | 6637 |
|---|---|
| CAS | 80-39-7 |
| Molecular Weight (g/mol) | 199.268 |
| SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)C |
| Synonym | n-ethyl-p-toluenesulfonamide,santicizer 3,n-tosylethylamine,benzenesulfonamide, n-ethyl-4-methyl,n-ethyl-p-tolylsulfonamide,n-ethyl-4-toluenesulfonamide,p-tolueneethylsulfonamide,ethyl tosylamide,p-toluenesulfonyl-n-ethylamide,n-ethyl-p-methylbenzenesulfonamide |
| IUPAC Name | N-ethyl-4-methylbenzenesulfonamide |
| InChI Key | OHPZPBNDOVQJMH-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2S |
Penfluridol 98.0+%, TCI America™
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CAS: 26864-56-2 Molecular Formula: C28H27ClF5NO Molecular Weight (g/mol): 523.972 MDL Number: MFCD00866714 InChI Key: MDLAAYDRRZXJIF-UHFFFAOYSA-N Synonym: 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol PubChem CID: 33630 IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol SMILES: C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
| PubChem CID | 33630 |
|---|---|
| CAS | 26864-56-2 |
| Molecular Weight (g/mol) | 523.972 |
| MDL Number | MFCD00866714 |
| SMILES | C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
| Synonym | 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol |
| IUPAC Name | 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol |
| InChI Key | MDLAAYDRRZXJIF-UHFFFAOYSA-N |
| Molecular Formula | C28H27ClF5NO |
2-Iodo-5-methylaniline 98.0+%, TCI America™
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CAS: 13194-69-9 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00833395 InChI Key: KXPBTNCFONSVIA-UHFFFAOYSA-N Synonym: 3-Amino-4-iodotoluene PubChem CID: 2736659 IUPAC Name: 2-iodo-5-methylaniline SMILES: CC1=CC(=C(C=C1)I)N
| PubChem CID | 2736659 |
|---|---|
| CAS | 13194-69-9 |
| Molecular Weight (g/mol) | 233.052 |
| MDL Number | MFCD00833395 |
| SMILES | CC1=CC(=C(C=C1)I)N |
| Synonym | 3-Amino-4-iodotoluene |
| IUPAC Name | 2-iodo-5-methylaniline |
| InChI Key | KXPBTNCFONSVIA-UHFFFAOYSA-N |
| Molecular Formula | C7H8IN |
N,N-Dibenzyl-2-aminoethanol 98.0+%, TCI America™
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CAS: 101-06-4 Molecular Formula: C16H19NO Molecular Weight (g/mol): 241.334 MDL Number: MFCD00020574 InChI Key: WTTWSMJHJFNCQB-UHFFFAOYSA-N Synonym: N,N-Dibenzylethanolamine, N-(2-Hydroxyethyl)dibenzylamine PubChem CID: 22657 IUPAC Name: 2-(dibenzylamino)ethanol SMILES: C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2
| PubChem CID | 22657 |
|---|---|
| CAS | 101-06-4 |
| Molecular Weight (g/mol) | 241.334 |
| MDL Number | MFCD00020574 |
| SMILES | C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2 |
| Synonym | N,N-Dibenzylethanolamine, N-(2-Hydroxyethyl)dibenzylamine |
| IUPAC Name | 2-(dibenzylamino)ethanol |
| InChI Key | WTTWSMJHJFNCQB-UHFFFAOYSA-N |
| Molecular Formula | C16H19NO |
4-Amino-3-fluorobenzonitrile 98.0+%, TCI America™
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CAS: 63069-50-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD00055559 InChI Key: RLMBRRQWBTWGMB-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile PubChem CID: 2756431 IUPAC Name: 4-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)N
| PubChem CID | 2756431 |
|---|---|
| CAS | 63069-50-1 |
| Molecular Weight (g/mol) | 136.129 |
| MDL Number | MFCD00055559 |
| SMILES | C1=CC(=C(C=C1C#N)F)N |
| Synonym | 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile |
| IUPAC Name | 4-amino-3-fluorobenzonitrile |
| InChI Key | RLMBRRQWBTWGMB-UHFFFAOYSA-N |
| Molecular Formula | C7H5FN2 |
2-(Isopropylsulfonyl)aniline 98.0+%, TCI America™
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CAS: 76697-50-2 Molecular Formula: C9H13NO2S Molecular Weight (g/mol): 199.27 MDL Number: MFCD08445603 InChI Key: GMLAMRMKROYXNZ-UHFFFAOYSA-N Synonym: 2-Aminophenyl Isopropyl Sulfone PubChem CID: 12646366 IUPAC Name: 2-(propane-2-sulfonyl)aniline SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1N
| PubChem CID | 12646366 |
|---|---|
| CAS | 76697-50-2 |
| Molecular Weight (g/mol) | 199.27 |
| MDL Number | MFCD08445603 |
| SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1N |
| Synonym | 2-Aminophenyl Isopropyl Sulfone |
| IUPAC Name | 2-(propane-2-sulfonyl)aniline |
| InChI Key | GMLAMRMKROYXNZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2S |
2-Bromo-4-chlorobenzaldehyde 97.0+%, TCI America™
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CAS: 84459-33-6 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD09056792 InChI Key: AJOAHIKYBSZIEV-UHFFFAOYSA-N PubChem CID: 13154710 IUPAC Name: 2-bromo-4-chlorobenzaldehyde SMILES: ClC1=CC(Br)=C(C=O)C=C1
| PubChem CID | 13154710 |
|---|---|
| CAS | 84459-33-6 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD09056792 |
| SMILES | ClC1=CC(Br)=C(C=O)C=C1 |
| IUPAC Name | 2-bromo-4-chlorobenzaldehyde |
| InChI Key | AJOAHIKYBSZIEV-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
2-Chlorobenzylamine 98.0+%, TCI America™
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CAS: 89-97-4 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008108 InChI Key: KDDNKZCVYQDGKE-UHFFFAOYSA-N Synonym: 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 PubChem CID: 66648 IUPAC Name: (2-chlorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Cl
| PubChem CID | 66648 |
|---|---|
| CAS | 89-97-4 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008108 |
| SMILES | C1=CC=C(C(=C1)CN)Cl |
| Synonym | 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 |
| IUPAC Name | (2-chlorophenyl)methanamine |
| InChI Key | KDDNKZCVYQDGKE-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
4-Methoxy-trans-stilbene 98.0+%, TCI America™
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CAS: 1694-19-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00017178 InChI Key: XWYXLYCDZKRCAD-BQYQJAHWSA-N PubChem CID: 1245920 ChEBI: CHEBI:35094 IUPAC Name: 1-methoxy-4-[(E)-2-phenylethenyl]benzene SMILES: COC1=CC=C(C=C1)C=CC2=CC=CC=C2
| PubChem CID | 1245920 |
|---|---|
| CAS | 1694-19-5 |
| Molecular Weight (g/mol) | 210.276 |
| ChEBI | CHEBI:35094 |
| MDL Number | MFCD00017178 |
| SMILES | COC1=CC=C(C=C1)C=CC2=CC=CC=C2 |
| IUPAC Name | 1-methoxy-4-[(E)-2-phenylethenyl]benzene |
| InChI Key | XWYXLYCDZKRCAD-BQYQJAHWSA-N |
| Molecular Formula | C15H14O |