Benzenoids
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1-Bromo-4-dodecylbenzene 90.0+%, TCI America™
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CAS: 126930-72-1 Molecular Formula: C18H29Br Molecular Weight (g/mol): 325.334 MDL Number: MFCD00191386 InChI Key: RFFMRBISTZHCNY-UHFFFAOYSA-N Synonym: 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene PubChem CID: 15120506 IUPAC Name: 1-bromo-4-dodecylbenzene SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)Br
| PubChem CID | 15120506 |
|---|---|
| CAS | 126930-72-1 |
| Molecular Weight (g/mol) | 325.334 |
| MDL Number | MFCD00191386 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)Br |
| Synonym | 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene |
| IUPAC Name | 1-bromo-4-dodecylbenzene |
| InChI Key | RFFMRBISTZHCNY-UHFFFAOYSA-N |
| Molecular Formula | C18H29Br |
Tetrachlorohydroquinone 98.0+%, TCI America™
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CAS: 87-87-6 Molecular Formula: C6H2Cl4O2 Molecular Weight (g/mol): 247.88 MDL Number: MFCD00041748 InChI Key: STOSPPMGXZPHKP-UHFFFAOYSA-N Synonym: tetrachlorohydroquinone,2,3,5,6-tetrachlorohydroquinone,dihydro-p-chloranil,tetrachloro-p-benzohydroquinone,tetrachlorobenzoquinol,nordrosophilin a,2,3,5,6-tetrachloro-1,4-benzenediol,perchlorohydroquinone,hydroquinone, tetrachloro,1,4-benzenediol, 2,3,5,6-tetrachloro PubChem CID: 66603 ChEBI: CHEBI:17042 IUPAC Name: 2,3,5,6-tetrachlorobenzene-1,4-diol SMILES: C1(=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)O
| PubChem CID | 66603 |
|---|---|
| CAS | 87-87-6 |
| Molecular Weight (g/mol) | 247.88 |
| ChEBI | CHEBI:17042 |
| MDL Number | MFCD00041748 |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)O |
| Synonym | tetrachlorohydroquinone,2,3,5,6-tetrachlorohydroquinone,dihydro-p-chloranil,tetrachloro-p-benzohydroquinone,tetrachlorobenzoquinol,nordrosophilin a,2,3,5,6-tetrachloro-1,4-benzenediol,perchlorohydroquinone,hydroquinone, tetrachloro,1,4-benzenediol, 2,3,5,6-tetrachloro |
| IUPAC Name | 2,3,5,6-tetrachlorobenzene-1,4-diol |
| InChI Key | STOSPPMGXZPHKP-UHFFFAOYSA-N |
| Molecular Formula | C6H2Cl4O2 |
Ethyl 4-(Chloromethyl)benzoate 98.0+%, TCI America™
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CAS: 1201-90-7 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 InChI Key: JTTXRFNOFFGPFI-UHFFFAOYSA-N Synonym: 4-(Chloromethyl)benzoic Acid Ethyl Ester PubChem CID: 276519 IUPAC Name: ethyl 4-(chloromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)CCl
| PubChem CID | 276519 |
|---|---|
| CAS | 1201-90-7 |
| Molecular Weight (g/mol) | 198.646 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)CCl |
| Synonym | 4-(Chloromethyl)benzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-(chloromethyl)benzoate |
| InChI Key | JTTXRFNOFFGPFI-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO2 |
4-Methoxy-1-naphthol 98.0+%, TCI America™
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CAS: 84-85-5 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD00003976 InChI Key: BOTGCZBEERTTDQ-UHFFFAOYSA-N Synonym: 4-methoxy-1-naphthol,1-hydroxy-4-methoxynaphthalene,1-naphthalenol, 4-methoxy,4-methoxynaphthol,4-methoxy-1-naphthalenol,walrycin a,4-methoxynaphth-1-ol,ursol grounding blue bl,1-naphthol, 4-methoxy,acmc-209px1 PubChem CID: 66542 IUPAC Name: 4-methoxynaphthalen-1-ol SMILES: COC1=CC=C(C2=CC=CC=C21)O
| PubChem CID | 66542 |
|---|---|
| CAS | 84-85-5 |
| Molecular Weight (g/mol) | 174.199 |
| MDL Number | MFCD00003976 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)O |
| Synonym | 4-methoxy-1-naphthol,1-hydroxy-4-methoxynaphthalene,1-naphthalenol, 4-methoxy,4-methoxynaphthol,4-methoxy-1-naphthalenol,walrycin a,4-methoxynaphth-1-ol,ursol grounding blue bl,1-naphthol, 4-methoxy,acmc-209px1 |
| IUPAC Name | 4-methoxynaphthalen-1-ol |
| InChI Key | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2 |
4-Guanidinobenzoic Acid Methanesulfonate 98.0+%, TCI America™
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CAS: 148720-07-4 Molecular Formula: C9H13N3O5S Molecular Weight (g/mol): 275.28 MDL Number: MFCD00191442 InChI Key: NGBBXMQQIAFCGF-UHFFFAOYSA-N PubChem CID: 44630314 IUPAC Name: 4-[(diaminomethylidene)amino]benzoic acid; methanesulfonic acid SMILES: CS(O)(=O)=O.NC(N)=NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 44630314 |
|---|---|
| CAS | 148720-07-4 |
| Molecular Weight (g/mol) | 275.28 |
| MDL Number | MFCD00191442 |
| SMILES | CS(O)(=O)=O.NC(N)=NC1=CC=C(C=C1)C(O)=O |
| IUPAC Name | 4-[(diaminomethylidene)amino]benzoic acid; methanesulfonic acid |
| InChI Key | NGBBXMQQIAFCGF-UHFFFAOYSA-N |
| Molecular Formula | C9H13N3O5S |
Lumefantrine 98.0+%, TCI America™
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CAS: 82186-77-4 Molecular Formula: C30H32Cl3NO Molecular Weight (g/mol): 528.94 MDL Number: MFCD05662268 InChI Key: DYLGFOYVTXJFJP-MYYYXRDXNA-N Synonym: Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol PubChem CID: 6437380 ChEBI: CHEBI:156095 IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol SMILES: CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1
| PubChem CID | 6437380 |
|---|---|
| CAS | 82186-77-4 |
| Molecular Weight (g/mol) | 528.94 |
| ChEBI | CHEBI:156095 |
| MDL Number | MFCD05662268 |
| SMILES | CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1 |
| Synonym | Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol |
| IUPAC Name | 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol |
| InChI Key | DYLGFOYVTXJFJP-MYYYXRDXNA-N |
| Molecular Formula | C30H32Cl3NO |
2,3,4-Trifluoroaniline 98.0+%, TCI America™
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CAS: 3862-73-5 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.1 MDL Number: MFCD00011737 InChI Key: WRDGNXCXTDDYBZ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenzenamine,benzenamine, 2,3,4-trifluoro,2,3,4-trifluoraniline,2,3,4-trifluoro-phenylamine,aniline, 2,3,4-trifluoro,2,3,4-trifluoro aniline,2,3,4-trifluorophenylamine,pubchem2297,acmc-1clgf,2.3.4-trifluoroaniline PubChem CID: 77468 IUPAC Name: 2,3,4-trifluoroaniline SMILES: C1=CC(=C(C(=C1N)F)F)F
| PubChem CID | 77468 |
|---|---|
| CAS | 3862-73-5 |
| Molecular Weight (g/mol) | 147.1 |
| MDL Number | MFCD00011737 |
| SMILES | C1=CC(=C(C(=C1N)F)F)F |
| Synonym | 2,3,4-trifluorobenzenamine,benzenamine, 2,3,4-trifluoro,2,3,4-trifluoraniline,2,3,4-trifluoro-phenylamine,aniline, 2,3,4-trifluoro,2,3,4-trifluoro aniline,2,3,4-trifluorophenylamine,pubchem2297,acmc-1clgf,2.3.4-trifluoroaniline |
| IUPAC Name | 2,3,4-trifluoroaniline |
| InChI Key | WRDGNXCXTDDYBZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3N |
Bis(phenylsulfonyl)methane 98.0+%, TCI America™
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CAS: 3406-02-8 Molecular Formula: C13H12O4S2 Molecular Weight (g/mol): 296.36 MDL Number: MFCD00007553 InChI Key: QCHNSJNRFSOCLJ-UHFFFAOYSA-N Synonym: bis phenylsulfonyl methane,methylenebis sulphonyl bisbenzene,benzene, 1,1'-methylenebis sulfonyl bis,bis benzenesulfonyl methane,benzenesulfonyl methanesulfonylbenzene,phenylsulfonyl methyl sulfonyl benzene,bisphenylsulfonylmethane,maybridge3_003227,acmc-1cmc8,bis phenylsulphonyl methane PubChem CID: 76948 IUPAC Name: benzenesulfonylmethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 76948 |
|---|---|
| CAS | 3406-02-8 |
| Molecular Weight (g/mol) | 296.36 |
| MDL Number | MFCD00007553 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC=C2 |
| Synonym | bis phenylsulfonyl methane,methylenebis sulphonyl bisbenzene,benzene, 1,1'-methylenebis sulfonyl bis,bis benzenesulfonyl methane,benzenesulfonyl methanesulfonylbenzene,phenylsulfonyl methyl sulfonyl benzene,bisphenylsulfonylmethane,maybridge3_003227,acmc-1cmc8,bis phenylsulphonyl methane |
| IUPAC Name | benzenesulfonylmethylsulfonylbenzene |
| InChI Key | QCHNSJNRFSOCLJ-UHFFFAOYSA-N |
| Molecular Formula | C13H12O4S2 |
4-Cyano-2'-nitrodiphenyl 98.0+%, TCI America™
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CAS: 75898-34-9 Molecular Formula: C13H8N2O2 Molecular Weight (g/mol): 224.219 MDL Number: MFCD00191622 InChI Key: LZUDBRIMDISCJM-UHFFFAOYSA-N Synonym: 4-Cyano-2′C-nitrobiphenyl, 2′C-Nitrobiphenyl-4-carbonitrile PubChem CID: 11851114 IUPAC Name: 4-(2-nitrophenyl)benzonitrile SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]
| PubChem CID | 11851114 |
|---|---|
| CAS | 75898-34-9 |
| Molecular Weight (g/mol) | 224.219 |
| MDL Number | MFCD00191622 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-] |
| Synonym | 4-Cyano-2′C-nitrobiphenyl, 2′C-Nitrobiphenyl-4-carbonitrile |
| IUPAC Name | 4-(2-nitrophenyl)benzonitrile |
| InChI Key | LZUDBRIMDISCJM-UHFFFAOYSA-N |
| Molecular Formula | C13H8N2O2 |
4-Bromo-3-methylaniline 98.0+%, TCI America™
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CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828 InChI Key: MMEGELSFOYDPQW-UHFFFAOYSA-N Synonym: 4-bromo-m-toluidine,5-amino-2-bromotoluene,3-methyl-4-bromoaniline,benzenamine, 4-bromo-3-methyl,4-bromo-3-methyl-phenylamine,4-bromo-3-methyl-aniline,4-bromo-3-methylbenzenamine,4-bromo-3-methylphenylamine,pubchem4339,4-bromo3-methylaniline PubChem CID: 23359 IUPAC Name: 4-bromo-3-methylaniline SMILES: CC1=C(C=CC(=C1)N)Br
| PubChem CID | 23359 |
|---|---|
| CAS | 6933-10-4 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00007828 |
| SMILES | CC1=C(C=CC(=C1)N)Br |
| Synonym | 4-bromo-m-toluidine,5-amino-2-bromotoluene,3-methyl-4-bromoaniline,benzenamine, 4-bromo-3-methyl,4-bromo-3-methyl-phenylamine,4-bromo-3-methyl-aniline,4-bromo-3-methylbenzenamine,4-bromo-3-methylphenylamine,pubchem4339,4-bromo3-methylaniline |
| IUPAC Name | 4-bromo-3-methylaniline |
| InChI Key | MMEGELSFOYDPQW-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
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 |
2-Bromo-4,5-dimethoxyphenol 97.0+%, TCI America™
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CAS: 129103-69-1 Molecular Formula: C8H9BrO3 Molecular Weight (g/mol): 233.06 MDL Number: MFCD11110624 InChI Key: YGMAGXHPUIGKFF-UHFFFAOYSA-N PubChem CID: 53217002 IUPAC Name: 2-bromo-4,5-dimethoxyphenol SMILES: COC1=CC(O)=C(Br)C=C1OC
| PubChem CID | 53217002 |
|---|---|
| CAS | 129103-69-1 |
| Molecular Weight (g/mol) | 233.06 |
| MDL Number | MFCD11110624 |
| SMILES | COC1=CC(O)=C(Br)C=C1OC |
| IUPAC Name | 2-bromo-4,5-dimethoxyphenol |
| InChI Key | YGMAGXHPUIGKFF-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO3 |
Tetramethylammonium p-Toluenesulfonate 99.0+%, TCI America™
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CAS: 3983-91-3 Molecular Formula: C11H19NO3S Molecular Weight (g/mol): 245.34 MDL Number: MFCD00043173 InChI Key: FHVCZJGBXWNGIZ-UHFFFAOYSA-M PubChem CID: 6451622 IUPAC Name: tetramethylazanium 4-methylbenzene-1-sulfonate SMILES: C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 6451622 |
|---|---|
| CAS | 3983-91-3 |
| Molecular Weight (g/mol) | 245.34 |
| MDL Number | MFCD00043173 |
| SMILES | C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O |
| IUPAC Name | tetramethylazanium 4-methylbenzene-1-sulfonate |
| InChI Key | FHVCZJGBXWNGIZ-UHFFFAOYSA-M |
| Molecular Formula | C11H19NO3S |
4-Hydroxy-3,5-dimethylbenzonitrile 95.0+%, TCI America™
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CAS: 4198-90-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00221716 InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm PubChem CID: 20176 IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(=C1O)C)C#N
| PubChem CID | 20176 |
|---|---|
| CAS | 4198-90-7 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00221716 |
| SMILES | CC1=CC(=CC(=C1O)C)C#N |
| Synonym | 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm |
| IUPAC Name | 4-hydroxy-3,5-dimethylbenzonitrile |
| InChI Key | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Acenaphthenequinone Dioxime, TCI America™
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CAS: 8-7-1932 Molecular Formula: C12H8N2O2 Molecular Weight (g/mol): 212.21 MDL Number: MFCD00059513 InChI Key: DFVXPXWNTZFHIV-UHFFFAOYSA-N PubChem CID: 233285 IUPAC Name: N-(2-nitrosoacenaphthylen-1-yl)hydroxylamine SMILES: C1=CC2=C3C(=C1)C(=C(C3=CC=C2)N=O)NO
| PubChem CID | 233285 |
|---|---|
| CAS | 8-7-1932 |
| Molecular Weight (g/mol) | 212.21 |
| MDL Number | MFCD00059513 |
| SMILES | C1=CC2=C3C(=C1)C(=C(C3=CC=C2)N=O)NO |
| IUPAC Name | N-(2-nitrosoacenaphthylen-1-yl)hydroxylamine |
| InChI Key | DFVXPXWNTZFHIV-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O2 |