Benzenoids
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Sodium 2-Naphthol-7-sulfonate Hydrate 98.0+%, TCI America™
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CAS: 135-55-7 Molecular Formula: C10H7NaO4S Molecular Weight (g/mol): 246.212 MDL Number: MFCD00021625 InChI Key: IVXSQYUPCUOMRV-UHFFFAOYSA-M Synonym: Cassella′Cs Acid Sodium Salt, F Acid Sodium Salt, 7-Hydroxy-2-naphthalenesulfonic Acid Sodium Salt, Sodium 7-Hydroxy-2-naphthalenesulfonate, 2-Naphthol-7-sulfonic Acid Sodium Salt PubChem CID: 23667647 IUPAC Name: sodium;7-hydroxynaphthalene-2-sulfonate SMILES: C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])O.[Na+]
| PubChem CID | 23667647 |
|---|---|
| CAS | 135-55-7 |
| Molecular Weight (g/mol) | 246.212 |
| MDL Number | MFCD00021625 |
| SMILES | C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])O.[Na+] |
| Synonym | Cassella′Cs Acid Sodium Salt, F Acid Sodium Salt, 7-Hydroxy-2-naphthalenesulfonic Acid Sodium Salt, Sodium 7-Hydroxy-2-naphthalenesulfonate, 2-Naphthol-7-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;7-hydroxynaphthalene-2-sulfonate |
| InChI Key | IVXSQYUPCUOMRV-UHFFFAOYSA-M |
| Molecular Formula | C10H7NaO4S |
1,3-Bis(2-isocyanato-2-propyl)benzene 97.0+%, TCI America™
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CAS: 2778-42-9 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00142493 InChI Key: AZYRZNIYJDKRHO-UHFFFAOYSA-N Synonym: 1,3-Bis(1-isocyanato-1-methylethyl)benzene PubChem CID: 17719 IUPAC Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene SMILES: CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O
| PubChem CID | 17719 |
|---|---|
| CAS | 2778-42-9 |
| Molecular Weight (g/mol) | 244.294 |
| MDL Number | MFCD00142493 |
| SMILES | CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O |
| Synonym | 1,3-Bis(1-isocyanato-1-methylethyl)benzene |
| IUPAC Name | 1,3-bis(2-isocyanatopropan-2-yl)benzene |
| InChI Key | AZYRZNIYJDKRHO-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O2 |
1,3-Bis(3-hydroxy-3-pentyl)benzene 90.0+%, TCI America™
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CAS: 676465-94-4 Molecular Formula: C16H26O2 Molecular Weight (g/mol): 250.382 InChI Key: DBVBDLSFXMYKIU-UHFFFAOYSA-N PubChem CID: 44630004 IUPAC Name: 3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol SMILES: CCC(CC)(C1=CC(=CC=C1)C(CC)(CC)O)O
| PubChem CID | 44630004 |
|---|---|
| CAS | 676465-94-4 |
| Molecular Weight (g/mol) | 250.382 |
| SMILES | CCC(CC)(C1=CC(=CC=C1)C(CC)(CC)O)O |
| IUPAC Name | 3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol |
| InChI Key | DBVBDLSFXMYKIU-UHFFFAOYSA-N |
| Molecular Formula | C16H26O2 |
2-Amino-5-fluorobenzotrifluoride 97.0+%, TCI America™
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CAS: 393-39-5 Molecular Formula: C7H5F4N Molecular Weight (g/mol): 179.12 MDL Number: MFCD00007831 InChI Key: LRCQLCWUUBSUOY-UHFFFAOYSA-N Synonym: 2-amino-5-fluorobenzotrifluoride,4-fluoro-2-trifluoromethyl aniline,4-fluoro-2-trifluoromethyl-phenylamine,benzenamine, 4-fluoro-2-trifluoromethyl,alpha,alpha,alpha,4-tetrafluoro-o-toluidine,alpha,2-amino-5-fluoro benzotrifluoride,4-fluoro-2-trifluoromethyl phenylamine,alpha,alpha,alpha-4-tetrafluoro-o-toluidine,benzenamine,4-fluoro-2-trifluoromethyl PubChem CID: 67853 IUPAC Name: 4-fluoro-2-(trifluoromethyl)aniline SMILES: NC1=CC=C(F)C=C1C(F)(F)F
| PubChem CID | 67853 |
|---|---|
| CAS | 393-39-5 |
| Molecular Weight (g/mol) | 179.12 |
| MDL Number | MFCD00007831 |
| SMILES | NC1=CC=C(F)C=C1C(F)(F)F |
| Synonym | 2-amino-5-fluorobenzotrifluoride,4-fluoro-2-trifluoromethyl aniline,4-fluoro-2-trifluoromethyl-phenylamine,benzenamine, 4-fluoro-2-trifluoromethyl,alpha,alpha,alpha,4-tetrafluoro-o-toluidine,alpha,2-amino-5-fluoro benzotrifluoride,4-fluoro-2-trifluoromethyl phenylamine,alpha,alpha,alpha-4-tetrafluoro-o-toluidine,benzenamine,4-fluoro-2-trifluoromethyl |
| IUPAC Name | 4-fluoro-2-(trifluoromethyl)aniline |
| InChI Key | LRCQLCWUUBSUOY-UHFFFAOYSA-N |
| Molecular Formula | C7H5F4N |
1,5-Dibromo-2,6-dihydroxynaphthalene 98.0+%, TCI America™
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CAS: 132178-78-0 Molecular Formula: C10H6Br2O2 Molecular Weight (g/mol): 317.96 MDL Number: MFCD16251539 InChI Key: COJNHIANORGBGY-UHFFFAOYSA-N Synonym: 1,5-Dibromo-2,6-naphthalenediol PubChem CID: 14896989 IUPAC Name: 1,5-dibromonaphthalene-2,6-diol SMILES: OC1=CC=C2C(Br)=C(O)C=CC2=C1Br
| PubChem CID | 14896989 |
|---|---|
| CAS | 132178-78-0 |
| Molecular Weight (g/mol) | 317.96 |
| MDL Number | MFCD16251539 |
| SMILES | OC1=CC=C2C(Br)=C(O)C=CC2=C1Br |
| Synonym | 1,5-Dibromo-2,6-naphthalenediol |
| IUPAC Name | 1,5-dibromonaphthalene-2,6-diol |
| InChI Key | COJNHIANORGBGY-UHFFFAOYSA-N |
| Molecular Formula | C10H6Br2O2 |
3,5-Bis(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
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CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
| PubChem CID | 2733314 |
|---|---|
| CAS | 16588-74-2 |
| Molecular Weight (g/mol) | 255.119 |
| MDL Number | MFCD00013559 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate |
| IUPAC Name | 1-isocyanato-3,5-bis(trifluoromethyl)benzene |
| InChI Key | NRSSOFNMWSJECS-UHFFFAOYSA-N |
| Molecular Formula | C9H3F6NO |
2-Amino-9,9-diphenylfluorene 98.0+%, TCI America™
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CAS: 1268519-74-9 Molecular Formula: C25H19N Molecular Weight (g/mol): 333.434 MDL Number: MFCD22376664 InChI Key: MQRGCMXCVJPWHI-UHFFFAOYSA-N PubChem CID: 70700696 IUPAC Name: 9,9-diphenylfluoren-2-amine SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N)C5=CC=CC=C5
| PubChem CID | 70700696 |
|---|---|
| CAS | 1268519-74-9 |
| Molecular Weight (g/mol) | 333.434 |
| MDL Number | MFCD22376664 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N)C5=CC=CC=C5 |
| IUPAC Name | 9,9-diphenylfluoren-2-amine |
| InChI Key | MQRGCMXCVJPWHI-UHFFFAOYSA-N |
| Molecular Formula | C25H19N |
Tris(2-methoxyphenyl)phosphine 97.0+%, TCI America™
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CAS: 4731-65-1 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00014892 InChI Key: IIOSDXGZLBPOHD-UHFFFAOYSA-N Synonym: tris 2-methoxyphenyl phosphine,tris o-methoxyphenyl phosphine,tris 2-methoxyphenyl phosphane,phosphine, tris methoxyphenyl,tris-2-methoxyphenyl-phosphine,tris o-anisyl phosphine,tri-2-methoxyphenyl phosphine,pubchem19707,tri 2-methoxyphenyl phosphine,ksc286k3b PubChem CID: 78464 IUPAC Name: tris(2-methoxyphenyl)phosphane SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
| PubChem CID | 78464 |
|---|---|
| CAS | 4731-65-1 |
| Molecular Weight (g/mol) | 352.37 |
| MDL Number | MFCD00014892 |
| SMILES | COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC |
| Synonym | tris 2-methoxyphenyl phosphine,tris o-methoxyphenyl phosphine,tris 2-methoxyphenyl phosphane,phosphine, tris methoxyphenyl,tris-2-methoxyphenyl-phosphine,tris o-anisyl phosphine,tri-2-methoxyphenyl phosphine,pubchem19707,tri 2-methoxyphenyl phosphine,ksc286k3b |
| IUPAC Name | tris(2-methoxyphenyl)phosphane |
| InChI Key | IIOSDXGZLBPOHD-UHFFFAOYSA-N |
| Molecular Formula | C21H21O3P |
5-Amino-2-nitrobenzoic Acid (Purified) 99.0+%, TCI America™
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CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
| PubChem CID | 83298 |
|---|---|
| CAS | 13280-60-9 |
| Molecular Weight (g/mol) | 182.135 |
| MDL Number | MFCD00035748 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-] |
| Synonym | 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid |
| InChI Key | KZZWQCKYLNIOBT-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
6-Amino-5-bromoquinoxaline 98.0+%, TCI America™
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CAS: 50358-63-9 Molecular Formula: C8H6BrN3 Molecular Weight (g/mol): 224.06 MDL Number: MFCD00799024 InChI Key: IRAOSCSPAYZRJE-UHFFFAOYSA-N PubChem CID: 14928442 IUPAC Name: 5-bromoquinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1Br
| PubChem CID | 14928442 |
|---|---|
| CAS | 50358-63-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00799024 |
| SMILES | NC1=CC=C2N=CC=NC2=C1Br |
| IUPAC Name | 5-bromoquinoxalin-6-amine |
| InChI Key | IRAOSCSPAYZRJE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN3 |
1-(p-Toluenesulfonyl)pyrrole 99.0+%, TCI America™
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CAS: 17639-64-4 Molecular Formula: C11H11NO2S Molecular Weight (g/mol): 221.274 MDL Number: MFCD00145014 InChI Key: OXWIEWFMRVJGNY-UHFFFAOYSA-N Synonym: 1-tosylpyrrole,1-tosyl-1h-pyrrole,1-p-toluenesulfonyl pyrrole,n-tosylpyrrole,1-4-methylphenyl sulfonyl-1h-pyrrole,1-p-tolylsulfonyl pyrrole,1-tosyl-pyrrole,1-4-methylphenylsulfonyl pyrrole,1-4-methylbenzenesulfonyl pyrrole,1h-pyrrole, 1-4-methylphenyl sulfonyl PubChem CID: 640087 IUPAC Name: 1-(4-methylphenyl)sulfonylpyrrole SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
| PubChem CID | 640087 |
|---|---|
| CAS | 17639-64-4 |
| Molecular Weight (g/mol) | 221.274 |
| MDL Number | MFCD00145014 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2 |
| Synonym | 1-tosylpyrrole,1-tosyl-1h-pyrrole,1-p-toluenesulfonyl pyrrole,n-tosylpyrrole,1-4-methylphenyl sulfonyl-1h-pyrrole,1-p-tolylsulfonyl pyrrole,1-tosyl-pyrrole,1-4-methylphenylsulfonyl pyrrole,1-4-methylbenzenesulfonyl pyrrole,1h-pyrrole, 1-4-methylphenyl sulfonyl |
| IUPAC Name | 1-(4-methylphenyl)sulfonylpyrrole |
| InChI Key | OXWIEWFMRVJGNY-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2S |
3-Bromo-5-(trifluoromethyl)benzaldehyde 98.0+%, TCI America™
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CAS: 477535-41-4 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD08059506 InChI Key: PCRLZGCXLNNMFL-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde PubChem CID: 16115438 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(Br)=CC(C=O)=C1
| PubChem CID | 16115438 |
|---|---|
| CAS | 477535-41-4 |
| Molecular Weight (g/mol) | 253.02 |
| MDL Number | MFCD08059506 |
| SMILES | FC(F)(F)C1=CC(Br)=CC(C=O)=C1 |
| Synonym | 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)benzaldehyde |
| InChI Key | PCRLZGCXLNNMFL-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O |
1-Chloro-4-propylbenzene 98.0+%, TCI America™
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CAS: 52944-34-0 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.64 MDL Number: MFCD00270099 InChI Key: QXQAPNSHUJORMC-UHFFFAOYSA-N Synonym: 4-Propylchlorobenzene PubChem CID: 521435 IUPAC Name: 1-chloro-4-propylbenzene SMILES: CCCC1=CC=C(Cl)C=C1
| PubChem CID | 521435 |
|---|---|
| CAS | 52944-34-0 |
| Molecular Weight (g/mol) | 154.64 |
| MDL Number | MFCD00270099 |
| SMILES | CCCC1=CC=C(Cl)C=C1 |
| Synonym | 4-Propylchlorobenzene |
| IUPAC Name | 1-chloro-4-propylbenzene |
| InChI Key | QXQAPNSHUJORMC-UHFFFAOYSA-N |
| Molecular Formula | C9H11Cl |
3-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 149.94 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CC=C1)C=O)(O)O |
| InChI Key | HJBGZJMKTOMQRR-UHFFFAOYSA-N |
| PubChem CID | 2734356 |
| CAS | 87199-16-4 |
| MDL Number | MFCD00161356 |
| Synonym | 3-formylphenyl boronic acid |
| TSCA | No |
| IUPAC Name | (3-formylphenyl)boronic acid |
| Molecular Formula | C7H7BO3 |
| Formula Weight | 149.94 |
| Melting Point | 113°C |
4-Amino-4'-cyanobiphenyl 95.0+%, TCI America™
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CAS: 4854-84-6 Molecular Formula: C13H10N2 Molecular Weight (g/mol): 194.237 MDL Number: MFCD00191367 InChI Key: CPJQKNUJNWPAPH-UHFFFAOYSA-N PubChem CID: 97193 IUPAC Name: 4-(4-aminophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)N
| PubChem CID | 97193 |
|---|---|
| CAS | 4854-84-6 |
| Molecular Weight (g/mol) | 194.237 |
| MDL Number | MFCD00191367 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)N |
| IUPAC Name | 4-(4-aminophenyl)benzonitrile |
| InChI Key | CPJQKNUJNWPAPH-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2 |