Benzenoids
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3-Bromo-4-(trifluoromethoxy)aniline 97.0+%, TCI America™
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CAS: 191602-54-7 Molecular Formula: C7H5BrF3NO Molecular Weight (g/mol): 256.022 MDL Number: MFCD00190127 InChI Key: RAQMUBDHNKQNTD-UHFFFAOYSA-N Synonym: 3-bromo-4-trifluoromethoxy aniline,3-bromo-4-trifluoromethoxy benzenamine,4-amino-2-bromo trifluoromethoxy benzene,3-bromo-4-trifluoromethoxy-phenylamine,2-bromo-4-amino-trifluoromethoxybenzene,benzenamine, 3-bromo-4-trifluoromethoxy,1-amino-3-bromo-4-trifluoromethoxy benzene,pubchem2925,ksc496c0p PubChem CID: 2736418 IUPAC Name: 3-bromo-4-(trifluoromethoxy)aniline SMILES: C1=CC(=C(C=C1N)Br)OC(F)(F)F
| PubChem CID | 2736418 |
|---|---|
| CAS | 191602-54-7 |
| Molecular Weight (g/mol) | 256.022 |
| MDL Number | MFCD00190127 |
| SMILES | C1=CC(=C(C=C1N)Br)OC(F)(F)F |
| Synonym | 3-bromo-4-trifluoromethoxy aniline,3-bromo-4-trifluoromethoxy benzenamine,4-amino-2-bromo trifluoromethoxy benzene,3-bromo-4-trifluoromethoxy-phenylamine,2-bromo-4-amino-trifluoromethoxybenzene,benzenamine, 3-bromo-4-trifluoromethoxy,1-amino-3-bromo-4-trifluoromethoxy benzene,pubchem2925,ksc496c0p |
| IUPAC Name | 3-bromo-4-(trifluoromethoxy)aniline |
| InChI Key | RAQMUBDHNKQNTD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3NO |
1-Methylpyrene 94.0+%, TCI America™
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CAS: 2381-21-7 Molecular Formula: C17H12 Molecular Weight (g/mol): 216.283 MDL Number: MFCD00014329 InChI Key: KBSPJIWZDWBDGM-UHFFFAOYSA-N Synonym: pyrene, 1-methyl,3-methylpyrene,1-methyl pyrene,pyrene, methyl,methylpyrene,unii-ab8420oxqa,ccris 6066,ab8420oxqa,pyrene, 3-methyl,acmc-1cgme PubChem CID: 16932 IUPAC Name: 1-methylpyrene SMILES: CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4
| PubChem CID | 16932 |
|---|---|
| CAS | 2381-21-7 |
| Molecular Weight (g/mol) | 216.283 |
| MDL Number | MFCD00014329 |
| SMILES | CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4 |
| Synonym | pyrene, 1-methyl,3-methylpyrene,1-methyl pyrene,pyrene, methyl,methylpyrene,unii-ab8420oxqa,ccris 6066,ab8420oxqa,pyrene, 3-methyl,acmc-1cgme |
| IUPAC Name | 1-methylpyrene |
| InChI Key | KBSPJIWZDWBDGM-UHFFFAOYSA-N |
| Molecular Formula | C17H12 |
[2-(Aminomethyl)phenyl]acetic Acid 97.0+%, TCI America™
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CAS: 40851-65-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD04038440 InChI Key: VLOIVYPDUSVCLZ-UHFFFAOYSA-N PubChem CID: 1514158 IUPAC Name: 2-[2-(aminomethyl)phenyl]acetic acid SMILES: NCC1=CC=CC=C1CC(O)=O
| PubChem CID | 1514158 |
|---|---|
| CAS | 40851-65-8 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD04038440 |
| SMILES | NCC1=CC=CC=C1CC(O)=O |
| IUPAC Name | 2-[2-(aminomethyl)phenyl]acetic acid |
| InChI Key | VLOIVYPDUSVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
1,2,3,10b-Tetrahydrofluoranthene 98.0+%, TCI America™
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CAS: 20279-21-4 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00045348 InChI Key: VMBZUGDYWLFLEU-UHFFFAOYNA-N PubChem CID: 89305 IUPAC Name: 1,2,3,10b-tetrahydrofluoranthene SMILES: C1CC2C3=CC=CC=C3C3=CC=CC(C1)=C23
| PubChem CID | 89305 |
|---|---|
| CAS | 20279-21-4 |
| Molecular Weight (g/mol) | 206.29 |
| MDL Number | MFCD00045348 |
| SMILES | C1CC2C3=CC=CC=C3C3=CC=CC(C1)=C23 |
| IUPAC Name | 1,2,3,10b-tetrahydrofluoranthene |
| InChI Key | VMBZUGDYWLFLEU-UHFFFAOYNA-N |
| Molecular Formula | C16H14 |
Triethylene Glycol Monobenzyl Ether 97.0+%, TCI America™
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CAS: 55489-58-2 Molecular Formula: C13H20O4 Molecular Weight (g/mol): 240.299 MDL Number: MFCD02093556 InChI Key: KVPHZILZNXDCNH-UHFFFAOYSA-N Synonym: 2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethanol PubChem CID: 2737322 IUPAC Name: 2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanol SMILES: C1=CC=C(C=C1)COCCOCCOCCO
| PubChem CID | 2737322 |
|---|---|
| CAS | 55489-58-2 |
| Molecular Weight (g/mol) | 240.299 |
| MDL Number | MFCD02093556 |
| SMILES | C1=CC=C(C=C1)COCCOCCOCCO |
| Synonym | 2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethanol |
| IUPAC Name | 2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanol |
| InChI Key | KVPHZILZNXDCNH-UHFFFAOYSA-N |
| Molecular Formula | C13H20O4 |
(1S,2S)-(+)-1-Amino-2-indanol 98.0+%, TCI America™
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CAS: 163061-74-3 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD08275383 InChI Key: LOPKSXMQWBYUOI-IUCAKERBSA-N Synonym: (1S,2S)-(+)-1-Amino-2-hydroxyindan PubChem CID: 6931156 IUPAC Name: (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol SMILES: C1C(C(C2=CC=CC=C21)N)O
| PubChem CID | 6931156 |
|---|---|
| CAS | 163061-74-3 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD08275383 |
| SMILES | C1C(C(C2=CC=CC=C21)N)O |
| Synonym | (1S,2S)-(+)-1-Amino-2-hydroxyindan |
| IUPAC Name | (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol |
| InChI Key | LOPKSXMQWBYUOI-IUCAKERBSA-N |
| Molecular Formula | C9H11NO |
2,6-Dinitroaniline 95.0+%, TCI America™
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CAS: 606-22-4 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007148 InChI Key: QFUSCYRJMXLNRB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine PubChem CID: 69070 IUPAC Name: 2,6-dinitroaniline SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
| PubChem CID | 69070 |
|---|---|
| CAS | 606-22-4 |
| Molecular Weight (g/mol) | 183.123 |
| MDL Number | MFCD00007148 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-] |
| Synonym | benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine |
| IUPAC Name | 2,6-dinitroaniline |
| InChI Key | QFUSCYRJMXLNRB-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O4 |
4-Hydroxybenzenethiol 97.0+%, TCI America™
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CAS: 637-89-8 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00004850 InChI Key: BXAVKNRWVKUTLY-UHFFFAOYSA-N Synonym: 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio PubChem CID: 240147 IUPAC Name: 4-sulfanylphenol SMILES: OC1=CC=C(S)C=C1
| PubChem CID | 240147 |
|---|---|
| CAS | 637-89-8 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00004850 |
| SMILES | OC1=CC=C(S)C=C1 |
| Synonym | 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio |
| IUPAC Name | 4-sulfanylphenol |
| InChI Key | BXAVKNRWVKUTLY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
4-(Hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 59016-93-2 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.956 MDL Number: MFCD00792672 InChI Key: PZRPBPMLSSNFOM-UHFFFAOYSA-N Synonym: 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol PubChem CID: 2734706 IUPAC Name: [4-(hydroxymethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CO)(O)O
| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| SMILES | B(C1=CC=C(C=C1)CO)(O)O |
| Synonym | 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
2-Fluoro-5-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™
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CAS: 146137-78-2 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.11 MDL Number: MFCD00061311 InChI Key: IDLNLGMUINCSGS-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl benzaldehyde,2-fluoro-5-trifluoromethyl-benzaldehyde,4-fluoro-3-formylbenzotrifluoride,benzaldehyde, 2-fluoro-5-trifluoromethyl,pubchem5798,acmc-209cwf,intermediates-zcf02118,ksc496a6r PubChem CID: 2734904 IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzaldehyde SMILES: FC1=CC=C(C=C1C=O)C(F)(F)F
| PubChem CID | 2734904 |
|---|---|
| CAS | 146137-78-2 |
| Molecular Weight (g/mol) | 192.11 |
| MDL Number | MFCD00061311 |
| SMILES | FC1=CC=C(C=C1C=O)C(F)(F)F |
| Synonym | 2-fluoro-5-trifluoromethyl benzaldehyde,2-fluoro-5-trifluoromethyl-benzaldehyde,4-fluoro-3-formylbenzotrifluoride,benzaldehyde, 2-fluoro-5-trifluoromethyl,pubchem5798,acmc-209cwf,intermediates-zcf02118,ksc496a6r |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)benzaldehyde |
| InChI Key | IDLNLGMUINCSGS-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
5-(Aminosulfonyl)-2,3-dimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 66644-80-2 Molecular Formula: C9H11NO6S Molecular Weight (g/mol): 261.25 MDL Number: MFCD01317561 InChI Key: YEVQOPOKMKTXMD-UHFFFAOYSA-N Synonym: 2,3-Dimethoxy-5-sulfamoylbenzoic Acid PubChem CID: 3017698 IUPAC Name: 2,3-dimethoxy-5-sulfamoylbenzoic acid SMILES: COC1=CC(=CC(C(O)=O)=C1OC)S(N)(=O)=O
| PubChem CID | 3017698 |
|---|---|
| CAS | 66644-80-2 |
| Molecular Weight (g/mol) | 261.25 |
| MDL Number | MFCD01317561 |
| SMILES | COC1=CC(=CC(C(O)=O)=C1OC)S(N)(=O)=O |
| Synonym | 2,3-Dimethoxy-5-sulfamoylbenzoic Acid |
| IUPAC Name | 2,3-dimethoxy-5-sulfamoylbenzoic acid |
| InChI Key | YEVQOPOKMKTXMD-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO6S |
Tribenzylamine 99.0+%, TCI America™
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CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: tribenzylamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 24321 |
|---|---|
| CAS | 620-40-6 |
| Molecular Weight (g/mol) | 287.41 |
| MDL Number | MFCD00004773 |
| SMILES | C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 |
| IUPAC Name | tribenzylamine |
| InChI Key | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| Molecular Formula | C21H21N |
2-Chloro-5-iodobenzotrifluoride 98.0+%, TCI America™
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CAS: 260355-20-2 Molecular Formula: C7H3ClF3I Molecular Weight (g/mol): 306.45 MDL Number: MFCD09037801 InChI Key: MCIFWVOVVPVBRJ-UHFFFAOYSA-N Synonym: 1-Chloro-4-iodo-2-(trifluoromethyl)benzene PubChem CID: 43145392 IUPAC Name: 1-chloro-4-iodo-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=C(Cl)C=CC(I)=C1
| PubChem CID | 43145392 |
|---|---|
| CAS | 260355-20-2 |
| Molecular Weight (g/mol) | 306.45 |
| MDL Number | MFCD09037801 |
| SMILES | FC(F)(F)C1=C(Cl)C=CC(I)=C1 |
| Synonym | 1-Chloro-4-iodo-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-4-iodo-2-(trifluoromethyl)benzene |
| InChI Key | MCIFWVOVVPVBRJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3I |
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™
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CAS: 127852-28-2 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 PubChem CID: 2779031 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2779031 |
|---|---|
| CAS | 127852-28-2 |
| Molecular Weight (g/mol) | 258.16 |
| MDL Number | MFCD03093010 |
| SMILES | CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol |
| InChI Key | MMSCIQKQJVBPIR-UHFFFAOYNA-N |
| Molecular Formula | C10H8F6O |
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™
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CAS: 225920-05-8 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.163 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-YFKPBYRVSA-N Synonym: (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol PubChem CID: 9816575 IUPAC Name: (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
| PubChem CID | 9816575 |
|---|---|
| CAS | 225920-05-8 |
| Molecular Weight (g/mol) | 258.163 |
| MDL Number | MFCD03093010 |
| SMILES | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O |
| Synonym | (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol |
| IUPAC Name | (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol |
| InChI Key | MMSCIQKQJVBPIR-YFKPBYRVSA-N |
| Molecular Formula | C10H8F6O |