Benzenoids
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4-Nitrophthalic Acid 98.0+%, TCI America™
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CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
Methyl 2,5-Dihydroxycinnamate 96.0+%, TCI America™
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CAS: 63177-57-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00132932 InChI Key: BQCNSTFWSKOWMA-GORDUTHDSA-N Synonym: methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester PubChem CID: 5353609 ChEBI: CHEBI:84089 IUPAC Name: methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)\C=C\C1=CC(O)=CC=C1O
| PubChem CID | 5353609 |
|---|---|
| CAS | 63177-57-1 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:84089 |
| MDL Number | MFCD00132932 |
| SMILES | COC(=O)\C=C\C1=CC(O)=CC=C1O |
| Synonym | methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester |
| IUPAC Name | methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate |
| InChI Key | BQCNSTFWSKOWMA-GORDUTHDSA-N |
| Molecular Formula | C10H10O4 |
4-Benzyloxybenzonitrile 98.0+%, TCI America™
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CAS: 52805-36-4 Molecular Formula: C14H11NO Molecular Weight (g/mol): 209.248 MDL Number: MFCD00079701 InChI Key: UDAOJHAASAWVIQ-UHFFFAOYSA-N Synonym: 4-benzyloxybenzonitrile,4-benzyloxy benzonitrile,4-benzyloxy-benzonitrile,benzonitrile, 4-phenylmethoxy,4-phenylmethoxy benzenecarbonitrile,maybridge1_005982,benzonitrile analogue, 5a,acmc-209l1v,4-cyanophenoxy phenyl methane PubChem CID: 561371 IUPAC Name: 4-phenylmethoxybenzonitrile SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C#N
| PubChem CID | 561371 |
|---|---|
| CAS | 52805-36-4 |
| Molecular Weight (g/mol) | 209.248 |
| MDL Number | MFCD00079701 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C#N |
| Synonym | 4-benzyloxybenzonitrile,4-benzyloxy benzonitrile,4-benzyloxy-benzonitrile,benzonitrile, 4-phenylmethoxy,4-phenylmethoxy benzenecarbonitrile,maybridge1_005982,benzonitrile analogue, 5a,acmc-209l1v,4-cyanophenoxy phenyl methane |
| IUPAC Name | 4-phenylmethoxybenzonitrile |
| InChI Key | UDAOJHAASAWVIQ-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO |
3-(Trifluoromethyl)phenylhydrazine 97.0+%, TCI America™
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CAS: 368-78-5 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00025093 InChI Key: RSESUCWJKLHXEZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylhydrazine,3-trifluoromethyl phenyl hydrazine,3-trifluoromethylphenylhydrazine,hydrazine, 3-trifluoromethyl phenyl,3-trifloromethylphenylhydrazine,3-trifluouromethyl phenylhydrazinehydrochloride,3-trifluoromethyl phenylhydrazine hydrochioride,pubchem3280,enamine_001261 PubChem CID: 98650 IUPAC Name: [3-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC(=CC(=C1)NN)C(F)(F)F
| PubChem CID | 98650 |
|---|---|
| CAS | 368-78-5 |
| Molecular Weight (g/mol) | 176.142 |
| MDL Number | MFCD00025093 |
| SMILES | C1=CC(=CC(=C1)NN)C(F)(F)F |
| Synonym | 3-trifluoromethyl phenylhydrazine,3-trifluoromethyl phenyl hydrazine,3-trifluoromethylphenylhydrazine,hydrazine, 3-trifluoromethyl phenyl,3-trifloromethylphenylhydrazine,3-trifluouromethyl phenylhydrazinehydrochloride,3-trifluoromethyl phenylhydrazine hydrochioride,pubchem3280,enamine_001261 |
| IUPAC Name | [3-(trifluoromethyl)phenyl]hydrazine |
| InChI Key | RSESUCWJKLHXEZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7F3N2 |
6-Hydroxy-2-naphthaleneboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 4349738 |
|---|---|
| CAS | 173194-95-1 |
| Molecular Weight (g/mol) | 187.989 |
| MDL Number | MFCD00092986 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC2=C(C=C1)C=C(C=C2)O)(O)O |
| TSCA | No |
| IUPAC Name | (6-hydroxynaphthalen-2-yl)boronic acid |
| InChI Key | SNJANQMHRGSHFN-UHFFFAOYSA-N |
| Molecular Formula | C10H9BO3 |
| Formula Weight | 187.99 |
| Melting Point | 224°C |
3-Nitrobenzenesulfonamide 98.0+%, TCI America™
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CAS: 121-52-8 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.184 MDL Number: MFCD00007935 InChI Key: TXTQURPQLVHJRE-UHFFFAOYSA-N Synonym: benzenesulfonamide, 3-nitro,m-nitrobenzenesulfonamide,3-nitrobenzolesulfamide,3-nitrobenzenesulphonamide,3-nitrobenzene-1-sulfonamide,m-nitrobenzenesulphonamide,3-nitro-benzenesulfonamide,benzenesulfonamide, m-nitro,3-nitrobenzene sulfonamide,m-nitrobenzolsulfonamid PubChem CID: 67138 IUPAC Name: 3-nitrobenzenesulfonamide SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-]
| PubChem CID | 67138 |
|---|---|
| CAS | 121-52-8 |
| Molecular Weight (g/mol) | 202.184 |
| MDL Number | MFCD00007935 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-] |
| Synonym | benzenesulfonamide, 3-nitro,m-nitrobenzenesulfonamide,3-nitrobenzolesulfamide,3-nitrobenzenesulphonamide,3-nitrobenzene-1-sulfonamide,m-nitrobenzenesulphonamide,3-nitro-benzenesulfonamide,benzenesulfonamide, m-nitro,3-nitrobenzene sulfonamide,m-nitrobenzolsulfonamid |
| IUPAC Name | 3-nitrobenzenesulfonamide |
| InChI Key | TXTQURPQLVHJRE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4S |
N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline Sodium Salt 98.0+%, TCI America™
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4-Fluoro-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 394-01-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00024300 InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene PubChem CID: 2737416 SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
| PubChem CID | 2737416 |
|---|---|
| CAS | 394-01-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00024300 |
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O |
| Synonym | 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene |
| InChI Key | YLUCXHMYRQUERW-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
4-Bromo-2-fluorobenzyl Bromide 98.0+%, TCI America™
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CAS: 76283-09-5 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD00055467 InChI Key: XMHNLZXYPAULDF-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl bromide,4-bromo-1-bromomethyl-2-fluorobenzene,2-fluoro-4-bromobenzyl bromide,4-bromo-2-fluorobenzylbromide,2-fluoro-4-bromo-benzylbromide,alpha,4-dibromo-2-fluorotoluene,unii-0z26xyc1jy,4,alpha-dibromo-2-fluorotoluene,4-bromo-1-bromomethyl-2-fluoro-benzene,0z26xyc1jy PubChem CID: 2733660 IUPAC Name: 4-bromo-1-(bromomethyl)-2-fluorobenzene SMILES: C1=CC(=C(C=C1Br)F)CBr
| PubChem CID | 2733660 |
|---|---|
| CAS | 76283-09-5 |
| Molecular Weight (g/mol) | 267.923 |
| MDL Number | MFCD00055467 |
| SMILES | C1=CC(=C(C=C1Br)F)CBr |
| Synonym | 4-bromo-2-fluorobenzyl bromide,4-bromo-1-bromomethyl-2-fluorobenzene,2-fluoro-4-bromobenzyl bromide,4-bromo-2-fluorobenzylbromide,2-fluoro-4-bromo-benzylbromide,alpha,4-dibromo-2-fluorotoluene,unii-0z26xyc1jy,4,alpha-dibromo-2-fluorotoluene,4-bromo-1-bromomethyl-2-fluoro-benzene,0z26xyc1jy |
| IUPAC Name | 4-bromo-1-(bromomethyl)-2-fluorobenzene |
| InChI Key | XMHNLZXYPAULDF-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |
4-Acetamidobenzenesulfonyl Azide 98.0+%, TCI America™
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CAS: 2158-14-7 Molecular Formula: C8H8N4O3S Molecular Weight (g/mol): 240.24 MDL Number: MFCD00029626 InChI Key: NTMHWRHEGDRTPD-UHFFFAOYSA-N Synonym: 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide PubChem CID: 5129185 IUPAC Name: 4-acetamidobenzene-1-sulfonyl azide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
| PubChem CID | 5129185 |
|---|---|
| CAS | 2158-14-7 |
| Molecular Weight (g/mol) | 240.24 |
| MDL Number | MFCD00029626 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-] |
| Synonym | 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide |
| IUPAC Name | 4-acetamidobenzene-1-sulfonyl azide |
| InChI Key | NTMHWRHEGDRTPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4O3S |
4-Methoxy-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O
| PubChem CID | 597216 |
|---|---|
| CAS | 6245-57-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00020291 |
| SMILES | COC1=CC(C)=C(C=C1)C(O)=O |
| Synonym | 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid |
| IUPAC Name | 4-methoxy-2-methylbenzoic acid |
| InChI Key | MSVRGYOYISBGTH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-Methyl-2-butenyl Benzoate 98.0+%, TCI America™
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CAS: 5205-11-8 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00036570 InChI Key: INVWRXWYYVMFQC-UHFFFAOYSA-N Synonym: Benzoic Acid 3-Methyl-2-butenyl Ester, Benzoic Acid Prenyl Ester, Prenyl Benzoate PubChem CID: 21265 IUPAC Name: 3-methylbut-2-enyl benzoate SMILES: CC(=CCOC(=O)C1=CC=CC=C1)C
| PubChem CID | 21265 |
|---|---|
| CAS | 5205-11-8 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00036570 |
| SMILES | CC(=CCOC(=O)C1=CC=CC=C1)C |
| Synonym | Benzoic Acid 3-Methyl-2-butenyl Ester, Benzoic Acid Prenyl Ester, Prenyl Benzoate |
| IUPAC Name | 3-methylbut-2-enyl benzoate |
| InChI Key | INVWRXWYYVMFQC-UHFFFAOYSA-N |
| Molecular Formula | C12H14O2 |
2,3-Dimethylanthracene 98.0+%, TCI America™
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CAS: 613-06-9 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.288 InChI Key: OGVRJXPGSVLDRD-UHFFFAOYSA-N PubChem CID: 69170 IUPAC Name: 2,3-dimethylanthracene SMILES: CC1=CC2=CC3=CC=CC=C3C=C2C=C1C
| PubChem CID | 69170 |
|---|---|
| CAS | 613-06-9 |
| Molecular Weight (g/mol) | 206.288 |
| SMILES | CC1=CC2=CC3=CC=CC=C3C=C2C=C1C |
| IUPAC Name | 2,3-dimethylanthracene |
| InChI Key | OGVRJXPGSVLDRD-UHFFFAOYSA-N |
| Molecular Formula | C16H14 |
3-Iodo-1,2,4,5-tetramethylbenzene 98.0+%, TCI America™
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CAS: 2100-25-6 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.12 MDL Number: MFCD00013705 InChI Key: MCRSYYLHVQGFNR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene PubChem CID: 75011 IUPAC Name: 3-iodo-1,2,4,5-tetramethylbenzene SMILES: CC1=CC(C)=C(C)C(I)=C1C
| PubChem CID | 75011 |
|---|---|
| CAS | 2100-25-6 |
| Molecular Weight (g/mol) | 260.12 |
| MDL Number | MFCD00013705 |
| SMILES | CC1=CC(C)=C(C)C(I)=C1C |
| Synonym | 2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene |
| IUPAC Name | 3-iodo-1,2,4,5-tetramethylbenzene |
| InChI Key | MCRSYYLHVQGFNR-UHFFFAOYSA-N |
| Molecular Formula | C10H13I |
4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
| PubChem CID | 2780719 |
|---|---|
| CAS | 32333-53-2 |
| Molecular Weight (g/mol) | 279.054 |
| MDL Number | MFCD00024882 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | SSULGNXFUGLULI-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3O2S |