Benzene and substituted derivatives
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2-Bromobenzyl bromide, 98%
CAS: 3433-80-5 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000173 InChI Key: LZSYGJNFCREHMD-UHFFFAOYSA-N Synonym: 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene PubChem CID: 76965 IUPAC Name: 1-bromo-2-(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)Br
| PubChem CID | 76965 |
|---|---|
| CAS | 3433-80-5 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00000173 |
| SMILES | C1=CC=C(C(=C1)CBr)Br |
| Synonym | 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene |
| IUPAC Name | 1-bromo-2-(bromomethyl)benzene |
| InChI Key | LZSYGJNFCREHMD-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
Benzenesulfonyl fluoride, 98%
CAS: 368-43-4 Molecular Formula: C6H5FO2S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007412 InChI Key: IDIPWEYIBKUDNY-UHFFFAOYSA-N Synonym: phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride PubChem CID: 67779 IUPAC Name: benzenesulfonyl fluoride SMILES: FS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 67779 |
|---|---|
| CAS | 368-43-4 |
| Molecular Weight (g/mol) | 160.16 |
| MDL Number | MFCD00007412 |
| SMILES | FS(=O)(=O)C1=CC=CC=C1 |
| Synonym | phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride |
| IUPAC Name | benzenesulfonyl fluoride |
| InChI Key | IDIPWEYIBKUDNY-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO2S |
4,4'-Dibromobiphenyl, 98+%
CAS: 92-86-4 Molecular Formula: C12H8Br2 Molecular Weight (g/mol): 312.00 MDL Number: MFCD00000101 InChI Key: HQJQYILBCQPYBI-UHFFFAOYSA-N Synonym: 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 PubChem CID: 7110 IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene SMILES: BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 7110 |
|---|---|
| CAS | 92-86-4 |
| Molecular Weight (g/mol) | 312.00 |
| MDL Number | MFCD00000101 |
| SMILES | BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 |
| IUPAC Name | 1-bromo-4-(4-bromophenyl)benzene |
| InChI Key | HQJQYILBCQPYBI-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2 |
4-Methoxybenzenesulfonamide, 98%
CAS: 1129-26-6 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.213 MDL Number: MFCD00025392 InChI Key: MSFQEZBRFPAFEX-UHFFFAOYSA-N Synonym: 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf PubChem CID: 70789 IUPAC Name: 4-methoxybenzenesulfonamide SMILES: COC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 70789 |
|---|---|
| CAS | 1129-26-6 |
| Molecular Weight (g/mol) | 187.213 |
| MDL Number | MFCD00025392 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf |
| IUPAC Name | 4-methoxybenzenesulfonamide |
| InChI Key | MSFQEZBRFPAFEX-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
Ethyl phenylglyoxylate, 98%
CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1
| PubChem CID | 15349 |
|---|---|
| CAS | 1603-79-8 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:84260 |
| MDL Number | MFCD00009120 |
| SMILES | CCOC(=O)C(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester |
| IUPAC Name | ethyl 2-oxo-2-phenylacetate |
| InChI Key | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
[1-(Phenylsulfonyl)-1H-indol-3-yl]methanol, ≥97%, Thermo Scientific™
CAS: 89241-33-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.333 MDL Number: MFCD02682024 InChI Key: ZMLXSFMIPYDHIN-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol PubChem CID: 2776213 IUPAC Name: [1-(benzenesulfonyl)indol-3-yl]methanol SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO
| PubChem CID | 2776213 |
|---|---|
| CAS | 89241-33-8 |
| Molecular Weight (g/mol) | 287.333 |
| MDL Number | MFCD02682024 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO |
| Synonym | 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol |
| IUPAC Name | [1-(benzenesulfonyl)indol-3-yl]methanol |
| InChI Key | ZMLXSFMIPYDHIN-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO3S |
2,2'-Bis(trifluoromethyl)benzidine, 97%
CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 MDL Number: MFCD00190155 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline SMILES: NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 629349 |
|---|---|
| CAS | 341-58-2 |
| Molecular Weight (g/mol) | 320.24 |
| MDL Number | MFCD00190155 |
| SMILES | NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline |
| IUPAC Name | 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline |
| InChI Key | NVKGJHAQGWCWDI-UHFFFAOYSA-N |
| Molecular Formula | C14H10F6N2 |
2,4-Dichloro-5-sulfamoylbenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 2736-23-4 Molecular Formula: C7H5Cl2NO4S Molecular Weight (g/mol): 270.08 MDL Number: MFCD00007931 InChI Key: ZSHHRBYVHTVRFK-UHFFFAOYSA-N Synonym: lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl PubChem CID: 17655 IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
| PubChem CID | 17655 |
|---|---|
| CAS | 2736-23-4 |
| Molecular Weight (g/mol) | 270.08 |
| MDL Number | MFCD00007931 |
| SMILES | C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O |
| Synonym | lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl |
| IUPAC Name | 2,4-dichloro-5-sulfamoylbenzoic acid |
| InChI Key | ZSHHRBYVHTVRFK-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO4S |
2,4-Dinitrophenylhydrazine, Spectrum™ Chemical
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CAS: 119-26-6 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 InChI Key: HORQAOAYAYGIBM-UHFFFAOYSA-N IUPAC Name: (2,4-dinitrophenyl)hydrazine SMILES: NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| CAS | 119-26-6 |
|---|---|
| Molecular Weight (g/mol) | 198.14 |
| SMILES | NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| IUPAC Name | (2,4-dinitrophenyl)hydrazine |
| InChI Key | HORQAOAYAYGIBM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O4 |
4-Bromo-1-chloro-2-fluorobenzene, 98%
CAS: 60811-18-9 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00042519 InChI Key: AGYWDGVTLKNTBS-UHFFFAOYSA-N Synonym: 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene PubChem CID: 2724690 IUPAC Name: 4-bromo-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2724690 |
|---|---|
| CAS | 60811-18-9 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00042519 |
| SMILES | FC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene |
| IUPAC Name | 4-bromo-1-chloro-2-fluorobenzene |
| InChI Key | AGYWDGVTLKNTBS-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
Eugenol, USP, Spectrum™ Chemical
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CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O
| CAS | 97-53-0 |
|---|---|
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008654 |
| SMILES | COC1=CC(CC=C)=CC=C1O |
| IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenol |
| InChI Key | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Triclosan, USP, 97-103%, Spectrum™ Chemical
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CAS: 3380-34-5 Molecular Formula: C12H7Cl3O2 Molecular Weight (g/mol): 289.54 InChI Key: XEFQLINVKFYRCS-UHFFFAOYSA-N IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol SMILES: OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl
| CAS | 3380-34-5 |
|---|---|
| Molecular Weight (g/mol) | 289.54 |
| SMILES | OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl |
| IUPAC Name | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
| InChI Key | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl3O2 |
1-(2-Bromoethoxy)-3-nitrobenzene, 97%, Thermo Scientific™
CAS: 13831-59-9 Molecular Formula: C8H8BrNO3 Molecular Weight (g/mol): 246.06 MDL Number: MFCD07783648 InChI Key: QBUSKXLDUNPEMZ-UHFFFAOYSA-N Synonym: 1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene PubChem CID: 269626 IUPAC Name: 1-(2-bromoethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OCCBr)=C1
| PubChem CID | 269626 |
|---|---|
| CAS | 13831-59-9 |
| Molecular Weight (g/mol) | 246.06 |
| MDL Number | MFCD07783648 |
| SMILES | [O-][N+](=O)C1=CC=CC(OCCBr)=C1 |
| Synonym | 1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene |
| IUPAC Name | 1-(2-bromoethoxy)-3-nitrobenzene |
| InChI Key | QBUSKXLDUNPEMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO3 |
4,4'-Diaminodiphenylmethane, 97%, Thermo Scientific Chemicals
CAS: 101-77-9 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00007914 InChI Key: YBRVSVVVWCFQMG-UHFFFAOYSA-N Synonym: 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline PubChem CID: 7577 ChEBI: CHEBI:32506 IUPAC Name: 4-[(4-aminophenyl)methyl]aniline SMILES: NC1=CC=C(CC2=CC=C(N)C=C2)C=C1
| PubChem CID | 7577 |
|---|---|
| CAS | 101-77-9 |
| Molecular Weight (g/mol) | 198.27 |
| ChEBI | CHEBI:32506 |
| MDL Number | MFCD00007914 |
| SMILES | NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 |
| Synonym | 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline |
| IUPAC Name | 4-[(4-aminophenyl)methyl]aniline |
| InChI Key | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
1-Bromo-4-n-propylbenzene, 99%
CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br
| PubChem CID | 136374 |
|---|---|
| CAS | 588-93-2 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00012456 |
| SMILES | CCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 |
| IUPAC Name | 1-bromo-4-propylbenzene |
| InChI Key | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |