Benzenoids
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1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol 96.0+%, TCI America™
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CAS: 808-12-8 Molecular Formula: C28H26O2 Molecular Weight (g/mol): 394.514 MDL Number: MFCD00026012 InChI Key: YOCSNHRJFCUGEU-UHFFFAOYSA-N Synonym: 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol PubChem CID: 4612495 IUPAC Name: 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O
| PubChem CID | 4612495 |
|---|---|
| CAS | 808-12-8 |
| Molecular Weight (g/mol) | 394.514 |
| MDL Number | MFCD00026012 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O |
| Synonym | 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol |
| IUPAC Name | 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol |
| InChI Key | YOCSNHRJFCUGEU-UHFFFAOYSA-N |
| Molecular Formula | C28H26O2 |
8-Mercaptoquinoline Hydrochloride 95.0+%, TCI America™
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CAS: 34006-16-1 Molecular Formula: C9H8ClNS Molecular Weight (g/mol): 197.68 MDL Number: MFCD00043261 InChI Key: RWBSBQAUAJSGHY-UHFFFAOYSA-N Synonym: Thiooxine Hydrochloride PubChem CID: 3082386 IUPAC Name: hydrogen quinoline-8-thiol chloride SMILES: [H+].[Cl-].SC1=C2N=CC=CC2=CC=C1
| PubChem CID | 3082386 |
|---|---|
| CAS | 34006-16-1 |
| Molecular Weight (g/mol) | 197.68 |
| MDL Number | MFCD00043261 |
| SMILES | [H+].[Cl-].SC1=C2N=CC=CC2=CC=C1 |
| Synonym | Thiooxine Hydrochloride |
| IUPAC Name | hydrogen quinoline-8-thiol chloride |
| InChI Key | RWBSBQAUAJSGHY-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClNS |
Sodium 2-Naphthol-6-sulfonate Hydrate 97.0+%, TCI America™
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CAS: 135-76-2 Molecular Formula: C10H7NaO4S Molecular Weight (g/mol): 246.212 MDL Number: MFCD00070488 InChI Key: ZPWQALCOMQRMRK-UHFFFAOYSA-M PubChem CID: 23667648 IUPAC Name: sodium;6-hydroxynaphthalene-2-sulfonate SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[Na+]
| PubChem CID | 23667648 |
|---|---|
| CAS | 135-76-2 |
| Molecular Weight (g/mol) | 246.212 |
| MDL Number | MFCD00070488 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[Na+] |
| IUPAC Name | sodium;6-hydroxynaphthalene-2-sulfonate |
| InChI Key | ZPWQALCOMQRMRK-UHFFFAOYSA-M |
| Molecular Formula | C10H7NaO4S |
4-(Bromomethyl)-3-fluorobenzonitrile 98.0+%, TCI America™
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CAS: 105942-09-4 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368341 InChI Key: ZESZAIOGACKOMB-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 PubChem CID: 2783149 IUPAC Name: 4-(bromomethyl)-3-fluorobenzonitrile SMILES: FC1=C(CBr)C=CC(=C1)C#N
| PubChem CID | 2783149 |
|---|---|
| CAS | 105942-09-4 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD07368341 |
| SMILES | FC1=C(CBr)C=CC(=C1)C#N |
| Synonym | 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 |
| IUPAC Name | 4-(bromomethyl)-3-fluorobenzonitrile |
| InChI Key | ZESZAIOGACKOMB-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
4-(4-Hydroxyphenyl)benzoic Acid 98.0+%, TCI America™
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CAS: 58574-03-1 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00059078 InChI Key: JTGCXYYDAVPSFD-UHFFFAOYSA-N Synonym: 4'-hydroxy-4-biphenylcarboxylic acid,4-4-hydroxyphenyl benzoic acid,4'-hydroxybiphenyl-4-carboxylic acid,4'-hydroxy-1,1'-biphenyl-4-carboxylic acid,4-hydroxy-4'-biphenylcarboxylic acid,4'-hydroxy biphenyl-4-carboxylic acid,4-hydroxybiphenyl-4'-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-hydroxy,chembl90522,4'-hydroxy 1,1'-biphenyl-4-carboxylic acid PubChem CID: 301556 IUPAC Name: 4-(4-hydroxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O
| PubChem CID | 301556 |
|---|---|
| CAS | 58574-03-1 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00059078 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O |
| Synonym | 4'-hydroxy-4-biphenylcarboxylic acid,4-4-hydroxyphenyl benzoic acid,4'-hydroxybiphenyl-4-carboxylic acid,4'-hydroxy-1,1'-biphenyl-4-carboxylic acid,4-hydroxy-4'-biphenylcarboxylic acid,4'-hydroxy biphenyl-4-carboxylic acid,4-hydroxybiphenyl-4'-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-hydroxy,chembl90522,4'-hydroxy 1,1'-biphenyl-4-carboxylic acid |
| IUPAC Name | 4-(4-hydroxyphenyl)benzoic acid |
| InChI Key | JTGCXYYDAVPSFD-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Tetraphenylphosphonium Bromide 98.0+%, TCI America™
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CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724163 |
|---|---|
| CAS | 2751-90-8 |
| Molecular Weight (g/mol) | 419.30 |
| MDL Number | MFCD00011915 |
| SMILES | [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide |
| IUPAC Name | tetraphenylphosphanium bromide |
| InChI Key | BRKFQVAOMSWFDU-UHFFFAOYSA-M |
| Molecular Formula | C24H20BrP |
4-Methoxybenzoic Anhydride 97.0+%, TCI America™
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CAS: 794-94-5 Molecular Formula: C16H14O5 Molecular Weight (g/mol): 286.283 MDL Number: MFCD00017175 InChI Key: YGMHIBLUWGDWKP-UHFFFAOYSA-N Synonym: 4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride PubChem CID: 69928 IUPAC Name: (4-methoxybenzoyl) 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC
| PubChem CID | 69928 |
|---|---|
| CAS | 794-94-5 |
| Molecular Weight (g/mol) | 286.283 |
| MDL Number | MFCD00017175 |
| SMILES | COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC |
| Synonym | 4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride |
| IUPAC Name | (4-methoxybenzoyl) 4-methoxybenzoate |
| InChI Key | YGMHIBLUWGDWKP-UHFFFAOYSA-N |
| Molecular Formula | C16H14O5 |
1-Nitro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 2995-45-1 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00041011 InChI Key: QBWJNDOQIAARBT-UHFFFAOYSA-N PubChem CID: 2777297 IUPAC Name: 1-nitro-3-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1
| PubChem CID | 2777297 |
|---|---|
| CAS | 2995-45-1 |
| Molecular Weight (g/mol) | 207.11 |
| MDL Number | MFCD00041011 |
| SMILES | [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1 |
| IUPAC Name | 1-nitro-3-(trifluoromethoxy)benzene |
| InChI Key | QBWJNDOQIAARBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO3 |
4-Methoxy-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 33844-21-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD04972109 InChI Key: DVZBWONCSHFMMM-UHFFFAOYSA-N Synonym: 2-Nitro-p-anisic Acid PubChem CID: 288657 SMILES: COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 288657 |
|---|---|
| CAS | 33844-21-2 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD04972109 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-Nitro-p-anisic Acid |
| InChI Key | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
2-Amino-N-methylbenzamide 98.0+%, TCI America™
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CAS: 4141-08-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00060602 InChI Key: KIMWOULVHFLJIU-UHFFFAOYSA-N Synonym: 2-Aminobenzoylmethylamide PubChem CID: 308072 ChEBI: CHEBI:81147 IUPAC Name: 2-amino-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1N
| PubChem CID | 308072 |
|---|---|
| CAS | 4141-08-6 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:81147 |
| MDL Number | MFCD00060602 |
| SMILES | CNC(=O)C1=CC=CC=C1N |
| Synonym | 2-Aminobenzoylmethylamide |
| IUPAC Name | 2-amino-N-methylbenzamide |
| InChI Key | KIMWOULVHFLJIU-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
3-Methyl-4-nitrobenzyl Alcohol 98.0+%, TCI America™
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CAS: 80866-75-7 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007171 InChI Key: KOVQGYQQVNCUBR-UHFFFAOYSA-N Synonym: 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol # PubChem CID: 591360 IUPAC Name: (3-methyl-4-nitrophenyl)methanol SMILES: CC1=C(C=CC(=C1)CO)[N+](=O)[O-]
| PubChem CID | 591360 |
|---|---|
| CAS | 80866-75-7 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007171 |
| SMILES | CC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| Synonym | 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol # |
| IUPAC Name | (3-methyl-4-nitrophenyl)methanol |
| InChI Key | KOVQGYQQVNCUBR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
4,4'-Dinitrodiphenylmethane 99.0+%, TCI America™
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CAS: 1817-74-9 Molecular Formula: C13H10N2O4 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00059184 InChI Key: GLBZQZXDUTUCGK-UHFFFAOYSA-N PubChem CID: 15753 IUPAC Name: 1-nitro-4-[(4-nitrophenyl)methyl]benzene SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1
| PubChem CID | 15753 |
|---|---|
| CAS | 1817-74-9 |
| Molecular Weight (g/mol) | 258.23 |
| MDL Number | MFCD00059184 |
| SMILES | [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1 |
| IUPAC Name | 1-nitro-4-[(4-nitrophenyl)methyl]benzene |
| InChI Key | GLBZQZXDUTUCGK-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O4 |
1-Benzyloxy-4-bromobenzene 98.0+%, TCI America™
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CAS: 6793-92-6 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD00028016 InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N Synonym: 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene PubChem CID: 138835 IUPAC Name: 1-bromo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
| PubChem CID | 138835 |
|---|---|
| CAS | 6793-92-6 |
| Molecular Weight (g/mol) | 263.134 |
| MDL Number | MFCD00028016 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)Br |
| Synonym | 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene |
| IUPAC Name | 1-bromo-4-phenylmethoxybenzene |
| InChI Key | OUQSGILAXUXMGI-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO |
Ethyl 2-Methoxy-6-methylbenzoate 95.0+%, TCI America™
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CAS: 6520-83-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00191666 InChI Key: GQLSLEBNODXANJ-UHFFFAOYSA-N Synonym: 2-Methoxy-6-methylbenzoic Acid Ethyl Ester PubChem CID: 591060 IUPAC Name: ethyl 2-methoxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1OC)C
| PubChem CID | 591060 |
|---|---|
| CAS | 6520-83-8 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00191666 |
| SMILES | CCOC(=O)C1=C(C=CC=C1OC)C |
| Synonym | 2-Methoxy-6-methylbenzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-methoxy-6-methylbenzoate |
| InChI Key | GQLSLEBNODXANJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
5-Fluoro-2-nitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 393-09-9 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00039741 InChI Key: WMQOSURXFLBTPC-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol PubChem CID: 223094 IUPAC Name: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 223094 |
|---|---|
| CAS | 393-09-9 |
| Molecular Weight (g/mol) | 209.1 |
| MDL Number | MFCD00039741 |
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-] |
| Synonym | 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol |
| IUPAC Name | 4-fluoro-1-nitro-2-(trifluoromethyl)benzene |
| InChI Key | WMQOSURXFLBTPC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F4NO2 |