Benzene and substituted derivatives
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p-Toluenesulfonic acid, sodium salt
CAS: 657-84-1 Molecular Formula: C7H7NaO3S Molecular Weight (g/mol): 194.18 MDL Number: MFCD00798566,MFCD00064388 InChI Key: KVCGISUBCHHTDD-UHFFFAOYSA-M Synonym: sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 PubChem CID: 3720192 IUPAC Name: sodium;4-methylbenzenesulfonate SMILES: [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 3720192 |
|---|---|
| CAS | 657-84-1 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00798566,MFCD00064388 |
| SMILES | [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 |
| IUPAC Name | sodium;4-methylbenzenesulfonate |
| InChI Key | KVCGISUBCHHTDD-UHFFFAOYSA-M |
| Molecular Formula | C7H7NaO3S |
2,4-Dichlorophenoxyacetic acid, 98%
CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
| PubChem CID | 1486 |
|---|---|
| CAS | 94-75-7 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:28854 |
| MDL Number | MFCD00004300 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)O |
| Synonym | 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon |
| IUPAC Name | 2-(2,4-dichlorophenoxy)acetic acid |
| InChI Key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
p-Toluidine, 99%, crystalline molten mass
CAS: 106-49-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 InChI Key: RZXMPPFPUUCRFN-UHFFFAOYSA-N Synonym: p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene PubChem CID: 7813 ChEBI: CHEBI:37825 IUPAC Name: 4-methylaniline SMILES: CC1=CC=C(C=C1)N
| PubChem CID | 7813 |
|---|---|
| CAS | 106-49-0 |
| Molecular Weight (g/mol) | 107.16 |
| ChEBI | CHEBI:37825 |
| SMILES | CC1=CC=C(C=C1)N |
| Synonym | p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene |
| IUPAC Name | 4-methylaniline |
| InChI Key | RZXMPPFPUUCRFN-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Poly(styrene sulfonic acid), M.W. 75,000, 30% w/v aq. soln.
CAS: 28210-41-5 MDL Number: MFCD00165973 Synonym: 4-styrenesulfonic acid,polystyrene sulfonate,tolevamer,styrene-4-sulphonic acid,4-vinylbenzenesulfonic acid,benzenesulfonic acid, 4-ethenyl,poly 4-vinylbenzenesulfonic acid,tolevamer inn,poly styrene sulfonic acid sodium salt,unii-zsl2fb6gxn
| CAS | 28210-41-5 |
|---|---|
| MDL Number | MFCD00165973 |
| Synonym | 4-styrenesulfonic acid,polystyrene sulfonate,tolevamer,styrene-4-sulphonic acid,4-vinylbenzenesulfonic acid,benzenesulfonic acid, 4-ethenyl,poly 4-vinylbenzenesulfonic acid,tolevamer inn,poly styrene sulfonic acid sodium salt,unii-zsl2fb6gxn |
1-Phenyl-2-thiourea, 97%
CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.22 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: NC(=S)NC1=CC=CC=C1
| PubChem CID | 676454 |
|---|---|
| CAS | 103-85-5 |
| Molecular Weight (g/mol) | 152.22 |
| ChEBI | CHEBI:46261 |
| MDL Number | MFCD00004933 |
| SMILES | NC(=S)NC1=CC=CC=C1 |
| Synonym | n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea |
| IUPAC Name | phenylthiourea |
| InChI Key | FULZLIGZKMKICU-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2S |
Thimerosal
CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.81 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 SMILES: [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
| PubChem CID | 16684434 |
|---|---|
| CAS | 54-64-8 |
| Molecular Weight (g/mol) | 404.81 |
| ChEBI | CHEBI:9546 |
| MDL Number | MFCD00013062 |
| SMILES | [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O |
| Synonym | thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate |
| InChI Key | RTKIYNMVFMVABJ-UHFFFAOYSA-L |
| Molecular Formula | C9H9HgNaO2S |
Butylated Hydroxytoluene Crystalline MP Biomedicals
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.356 |
| ChEBI | CHEBI:34247 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
3,3',5,5'-Tetramethylbenzidine, 99+%
CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
| PubChem CID | 41206 |
|---|---|
| CAS | 54827-17-7 |
| Molecular Weight (g/mol) | 240.35 |
| SMILES | CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C |
| Synonym | 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble |
| IUPAC Name | 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline |
| InChI Key | UAIUNKRWKOVEES-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2 |
Diethylstilbestrol, 99%
CAS: 56-53-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol PubChem CID: 448537 ChEBI: CHEBI:41922 SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 448537 |
|---|---|
| CAS | 56-53-1 |
| Molecular Weight (g/mol) | 268.36 |
| ChEBI | CHEBI:41922 |
| MDL Number | MFCD00002373 |
| SMILES | CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Molecular Formula | C18H20O2 |
Anisole, 99%, pure
CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1
| PubChem CID | 7519 |
|---|---|
| CAS | 100-66-3 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:16579 |
| SMILES | COC1=CC=CC=C1 |
| Synonym | methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene |
| IUPAC Name | anisole |
| InChI Key | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
4-Aminobenzoic Acid, 99%
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
N,N-Dimethylbenzylamine, 99%
CAS: 103-83-3 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008329 InChI Key: XXBDWLFCJWSEKW-UHFFFAOYSA-N Synonym: n,n-dimethylbenzylamine,benzyldimethylamine,n-benzyldimethylamine,dimethylbenzylamine,bdma,benzenemethanamine, n,n-dimethyl,benzyl-n,n-dimethylamine,n-phenylmethyl dimethylamine,n,n-dimethylbenzenemethanamine,araldite accelerator 062 PubChem CID: 7681 SMILES: CN(C)CC1=CC=CC=C1
| PubChem CID | 7681 |
|---|---|
| CAS | 103-83-3 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008329 |
| SMILES | CN(C)CC1=CC=CC=C1 |
| Synonym | n,n-dimethylbenzylamine,benzyldimethylamine,n-benzyldimethylamine,dimethylbenzylamine,bdma,benzenemethanamine, n,n-dimethyl,benzyl-n,n-dimethylamine,n-phenylmethyl dimethylamine,n,n-dimethylbenzenemethanamine,araldite accelerator 062 |
| InChI Key | XXBDWLFCJWSEKW-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
5-Sulfosalicylic acid dihydrate, ACS, 99+%
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid;dihydrate |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
p-Toluenesulfonyl isocyanate, 96%
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
Tetrakis(triphenylphosphine)palladium(0), 99%
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979704 |
|---|---|
| CAS | 14221-01-3 |
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 |
| IUPAC Name | palladium;triphenylphosphane |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |