Benzenoids
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1,3,5-Tris(3-bromophenyl)benzene 96.0+%, TCI America™
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CAS: 96761-85-2 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD02323390 InChI Key: JKCQADHKVQXKFF-UHFFFAOYSA-N PubChem CID: 4576280 IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
| PubChem CID | 4576280 |
|---|---|
| CAS | 96761-85-2 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD02323390 |
| SMILES | C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br |
| IUPAC Name | 1,3,5-tris(3-bromophenyl)benzene |
| InChI Key | JKCQADHKVQXKFF-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
2-Bromo-1-chloro-4-fluorobenzene 98.0+%, TCI America™
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CAS: 201849-15-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00061120 InChI Key: FOCCSIJMXBTKHD-UHFFFAOYSA-N Synonym: 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene PubChem CID: 2773263 IUPAC Name: 2-bromo-1-chloro-4-fluorobenzene SMILES: FC1=CC(Br)=C(Cl)C=C1
| PubChem CID | 2773263 |
|---|---|
| CAS | 201849-15-2 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00061120 |
| SMILES | FC1=CC(Br)=C(Cl)C=C1 |
| Synonym | 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene |
| IUPAC Name | 2-bromo-1-chloro-4-fluorobenzene |
| InChI Key | FOCCSIJMXBTKHD-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
4-Bromobenzyl Chloride 98.0+%, TCI America™
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CAS: 589-17-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040867 InChI Key: BSIIGUGKOPPTPZ-UHFFFAOYSA-N Synonym: 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride PubChem CID: 68528 IUPAC Name: 1-bromo-4-(chloromethyl)benzene SMILES: ClCC1=CC=C(Br)C=C1
| PubChem CID | 68528 |
|---|---|
| CAS | 589-17-3 |
| Molecular Weight (g/mol) | 205.48 |
| MDL Number | MFCD00040867 |
| SMILES | ClCC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride |
| IUPAC Name | 1-bromo-4-(chloromethyl)benzene |
| InChI Key | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2-Methoxyphenyl Acetate 97.0+%, TCI America™
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CAS: 613-70-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00017221 InChI Key: BHJHPYFAYGAPLS-UHFFFAOYSA-N Synonym: Acetic Acid 2-Methoxyphenyl Ester, 2-Guaiacol Acetate, Acetic Acid 2-Guaiacol Ester, O-Acetylguaiacol PubChem CID: 61155 ChEBI: CHEBI:86645 IUPAC Name: (2-methoxyphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1OC
| PubChem CID | 61155 |
|---|---|
| CAS | 613-70-7 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86645 |
| MDL Number | MFCD00017221 |
| SMILES | CC(=O)OC1=CC=CC=C1OC |
| Synonym | Acetic Acid 2-Methoxyphenyl Ester, 2-Guaiacol Acetate, Acetic Acid 2-Guaiacol Ester, O-Acetylguaiacol |
| IUPAC Name | (2-methoxyphenyl) acetate |
| InChI Key | BHJHPYFAYGAPLS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Bromo-5-chloroaniline 97.0+%, TCI America™
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CAS: 823-57-4 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00672942 InChI Key: NLEZSQHAFMZAGU-UHFFFAOYSA-N PubChem CID: 11310276 IUPAC Name: 2-bromo-5-chloroaniline SMILES: C1=CC(=C(C=C1Cl)N)Br
| PubChem CID | 11310276 |
|---|---|
| CAS | 823-57-4 |
| Molecular Weight (g/mol) | 206.467 |
| MDL Number | MFCD00672942 |
| SMILES | C1=CC(=C(C=C1Cl)N)Br |
| IUPAC Name | 2-bromo-5-chloroaniline |
| InChI Key | NLEZSQHAFMZAGU-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
5-Amino-1-naphthol-3-sulfonic Acid Hydrate 97.0+%, TCI America™
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CAS: 489-78-1 Molecular Formula: C10H9NO4S Molecular Weight (g/mol): 239.245 MDL Number: MFCD00035712 InChI Key: GGZZISOUXJHYOY-UHFFFAOYSA-N Synonym: 8-Amino-4-hydroxy-2-naphthalenesulfonic Acid, M Acid PubChem CID: 68106 IUPAC Name: 8-amino-4-hydroxynaphthalene-2-sulfonic acid SMILES: C1=CC2=C(C=C(C=C2C(=C1)N)S(=O)(=O)O)O
| PubChem CID | 68106 |
|---|---|
| CAS | 489-78-1 |
| Molecular Weight (g/mol) | 239.245 |
| MDL Number | MFCD00035712 |
| SMILES | C1=CC2=C(C=C(C=C2C(=C1)N)S(=O)(=O)O)O |
| Synonym | 8-Amino-4-hydroxy-2-naphthalenesulfonic Acid, M Acid |
| IUPAC Name | 8-amino-4-hydroxynaphthalene-2-sulfonic acid |
| InChI Key | GGZZISOUXJHYOY-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO4S |
2-Bromo-9,9-dihexylfluorene 97.0+%, TCI America™
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CAS: 226070-05-9 Molecular Formula: C25H33Br Molecular Weight (g/mol): 413.443 MDL Number: MFCD14584649 InChI Key: NNYSRQDAPSNOKV-UHFFFAOYSA-N PubChem CID: 18674600 IUPAC Name: 2-bromo-9,9-dihexylfluorene SMILES: CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC
| PubChem CID | 18674600 |
|---|---|
| CAS | 226070-05-9 |
| Molecular Weight (g/mol) | 413.443 |
| MDL Number | MFCD14584649 |
| SMILES | CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC |
| IUPAC Name | 2-bromo-9,9-dihexylfluorene |
| InChI Key | NNYSRQDAPSNOKV-UHFFFAOYSA-N |
| Molecular Formula | C25H33Br |
2,4,6-Trifluorobenzoic Acid 98.0+%, TCI America™
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CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
| PubChem CID | 520373 |
|---|---|
| CAS | 28314-80-9 |
| Molecular Weight (g/mol) | 176.094 |
| MDL Number | MFCD00042398 |
| SMILES | C1=C(C=C(C(=C1F)C(=O)O)F)F |
| Synonym | benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro |
| IUPAC Name | 2,4,6-trifluorobenzoic acid |
| InChI Key | SJZATRRXUILGHH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
4-Methyldiphenylamine 98.0+%, TCI America™
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CAS: 620-84-8 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00092921 InChI Key: AGHYMXKKEXDUTA-UHFFFAOYSA-N Synonym: 4-methyldiphenylamine,benzenamine, 4-methyl-n-phenyl,n-phenyl-p-toluidine,4-methyl-n-phenyl-aniline,4-methyl-n-phenylbenzamine,4-methylphenyl phenylamine,phenyl-p-tolylamine,4-methyldiphenylamin,phenyl-p-tolyl-amine,n-pnenyl-4-methylaniline PubChem CID: 12109 IUPAC Name: 4-methyl-N-phenylaniline SMILES: CC1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 12109 |
|---|---|
| CAS | 620-84-8 |
| Molecular Weight (g/mol) | 183.25 |
| MDL Number | MFCD00092921 |
| SMILES | CC1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | 4-methyldiphenylamine,benzenamine, 4-methyl-n-phenyl,n-phenyl-p-toluidine,4-methyl-n-phenyl-aniline,4-methyl-n-phenylbenzamine,4-methylphenyl phenylamine,phenyl-p-tolylamine,4-methyldiphenylamin,phenyl-p-tolyl-amine,n-pnenyl-4-methylaniline |
| IUPAC Name | 4-methyl-N-phenylaniline |
| InChI Key | AGHYMXKKEXDUTA-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
4-Acetylindan 98.0+%, TCI America™
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CAS: 38997-97-6 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.216 MDL Number: MFCD09033715 InChI Key: FPHUGFGBPNVMQR-UHFFFAOYSA-N PubChem CID: 13657961 IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yl)ethanone SMILES: CC(=O)C1=C2CCCC2=CC=C1
| PubChem CID | 13657961 |
|---|---|
| CAS | 38997-97-6 |
| Molecular Weight (g/mol) | 160.216 |
| MDL Number | MFCD09033715 |
| SMILES | CC(=O)C1=C2CCCC2=CC=C1 |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-4-yl)ethanone |
| InChI Key | FPHUGFGBPNVMQR-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
Thioanisole 99.0+%, TCI America™
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CAS: 100-68-5 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1
| PubChem CID | 7520 |
|---|---|
| CAS | 100-68-5 |
| Molecular Weight (g/mol) | 124.201 |
| MDL Number | MFCD00008559 |
| SMILES | CSC1=CC=CC=C1 |
| Synonym | thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene |
| IUPAC Name | methylsulfanylbenzene |
| InChI Key | HNKJADCVZUBCPG-UHFFFAOYSA-N |
| Molecular Formula | C7H8S |
Aluminon (mixture of isomers), TCI America™
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CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.438 MDL Number: MFCD00040925 InChI Key: AIPNSHNRCQOTRI-UHFFFAOYSA-N Synonym: aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs PubChem CID: 54729869 ChEBI: CHEBI:87398 IUPAC Name: triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]
| PubChem CID | 54729869 |
|---|---|
| CAS | 569-58-4 |
| Molecular Weight (g/mol) | 473.438 |
| ChEBI | CHEBI:87398 |
| MDL Number | MFCD00040925 |
| SMILES | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+] |
| Synonym | aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs |
| IUPAC Name | triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate |
| InChI Key | AIPNSHNRCQOTRI-UHFFFAOYSA-N |
| Molecular Formula | C22H23N3O9 |
2,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 35094-87-2 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00016592 InChI Key: WNCNWLVQSHZVKV-UHFFFAOYSA-N PubChem CID: 643387 IUPAC Name: 2,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C=C1O
| PubChem CID | 643387 |
|---|---|
| CAS | 35094-87-2 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00016592 |
| SMILES | OC1=CC(O)=C(C=O)C=C1O |
| IUPAC Name | 2,4,5-trihydroxybenzaldehyde |
| InChI Key | WNCNWLVQSHZVKV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
o-Anisidine-5-sulfonic Acid 95.0+%, TCI America™
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CAS: 98-42-0 Molecular Formula: C7H9NO4S Molecular Weight (g/mol): 203.212 MDL Number: MFCD00035759 InChI Key: FLIOATBXVNLPLK-UHFFFAOYSA-N Synonym: 4-methoxymetanilic acid,2-anisidine-4-sulfonic acid,2-methoxyaniline-5-sulfonic acid,benzenesulfonic acid, 3-amino-4-methoxy,o-anisidine-4-sulfonic acid,2-methoxy-5-sulfoaniline,o-anisidine-p-sulfonic acid,2-aminoanisole-4-sulfonic acid,benzenesulfonic acid, 3-amino-4-methoxyl,acmc-20ahhh PubChem CID: 66821 IUPAC Name: 3-amino-4-methoxybenzenesulfonic acid SMILES: COC1=C(C=C(C=C1)S(=O)(=O)O)N
| PubChem CID | 66821 |
|---|---|
| CAS | 98-42-0 |
| Molecular Weight (g/mol) | 203.212 |
| MDL Number | MFCD00035759 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)O)N |
| Synonym | 4-methoxymetanilic acid,2-anisidine-4-sulfonic acid,2-methoxyaniline-5-sulfonic acid,benzenesulfonic acid, 3-amino-4-methoxy,o-anisidine-4-sulfonic acid,2-methoxy-5-sulfoaniline,o-anisidine-p-sulfonic acid,2-aminoanisole-4-sulfonic acid,benzenesulfonic acid, 3-amino-4-methoxyl,acmc-20ahhh |
| IUPAC Name | 3-amino-4-methoxybenzenesulfonic acid |
| InChI Key | FLIOATBXVNLPLK-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO4S |
2-Amino-4-methoxybenzoic Acid 97.0+%, TCI America™
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CAS: 4294-95-5 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00667729 InChI Key: HHNWXQCVWVVVQZ-UHFFFAOYSA-N Synonym: 4-methoxyanthranilic acid,2-amino-4-methoxy-benzoic acid,2-amino-p-anisic acid,benzoic acid, 2-amino-4-methoxy,3-amino-4-carboxyanisole,2-carboxy-5-methoxyaniline,4-methoxyanthranilicacid,2-amine-4-methoxybenzoic acid,pubchem11856,acmc-1aerh PubChem CID: 351010 IUPAC Name: 2-amino-4-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)N
| PubChem CID | 351010 |
|---|---|
| CAS | 4294-95-5 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00667729 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)N |
| Synonym | 4-methoxyanthranilic acid,2-amino-4-methoxy-benzoic acid,2-amino-p-anisic acid,benzoic acid, 2-amino-4-methoxy,3-amino-4-carboxyanisole,2-carboxy-5-methoxyaniline,4-methoxyanthranilicacid,2-amine-4-methoxybenzoic acid,pubchem11856,acmc-1aerh |
| IUPAC Name | 2-amino-4-methoxybenzoic acid |
| InChI Key | HHNWXQCVWVVVQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |