Benzene and substituted derivatives
Filtered Search Results
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 |
o-Toluic acid, 98+%
CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O
| PubChem CID | 8373 |
|---|---|
| CAS | 118-90-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36632 |
| MDL Number | MFCD00002477 |
| SMILES | CC1=CC=CC=C1C(=O)O |
| Synonym | o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate |
| IUPAC Name | 2-methylbenzoic acid |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
p-Toluic acid, 98%
CAS: 99-94-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002565 InChI Key: LPNBBFKOUUSUDB-UHFFFAOYSA-N Synonym: p-toluic acid,4-toluic acid,crithminic acid,p-methylbenzoic acid,p-toluylic acid,benzoic acid, 4-methyl,p-carboxytoluene,para-toluic acid,4-methyl-benzoic acid,toluenecarboxylic acid PubChem CID: 7470 ChEBI: CHEBI:36635 IUPAC Name: 4-methylbenzoic acid SMILES: CC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7470 |
|---|---|
| CAS | 99-94-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36635 |
| MDL Number | MFCD00002565 |
| SMILES | CC1=CC=C(C=C1)C(O)=O |
| Synonym | p-toluic acid,4-toluic acid,crithminic acid,p-methylbenzoic acid,p-toluylic acid,benzoic acid, 4-methyl,p-carboxytoluene,para-toluic acid,4-methyl-benzoic acid,toluenecarboxylic acid |
| IUPAC Name | 4-methylbenzoic acid |
| InChI Key | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Sodium polyanetholesulfonate
CAS: 55963-78-5 Molecular Formula: (C10H11NaO4S)n Molecular Weight (g/mol): NaN MDL Number: MFCD00148427 InChI Key: JKJBFNAERWARKW-CZEFNJPISA-L Synonym: sodium anethole sulfite,polyanetholesulfonate,polyanethol sulfonate,benzene, 1-methoxy-4-1-propenyl-, e-, homopolymer, sulfonated, sodium salt,sodium 1-methoxy-4-e-prop-1-enyl benzene sulfite PubChem CID: 6434512 SMILES: CS(=O)(=O)O[Na].COC1=CC=C(C=C1)C(-*)C(C)-*
| PubChem CID | 6434512 |
|---|---|
| CAS | 55963-78-5 |
| Molecular Weight (g/mol) | NaN |
| MDL Number | MFCD00148427 |
| SMILES | CS(=O)(=O)O[Na].COC1=CC=C(C=C1)C(-*)C(C)-* |
| Synonym | sodium anethole sulfite,polyanetholesulfonate,polyanethol sulfonate,benzene, 1-methoxy-4-1-propenyl-, e-, homopolymer, sulfonated, sodium salt,sodium 1-methoxy-4-e-prop-1-enyl benzene sulfite |
| InChI Key | JKJBFNAERWARKW-CZEFNJPISA-L |
| Molecular Formula | (C10H11NaO4S)n |
2-Bromoanisole, 98%
CAS: 578-57-4 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000064 InChI Key: HTDQSWDEWGSAMN-UHFFFAOYSA-N Synonym: 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide PubChem CID: 11358 IUPAC Name: 1-bromo-2-methoxybenzene SMILES: COC1=CC=CC=C1Br
| PubChem CID | 11358 |
|---|---|
| CAS | 578-57-4 |
| Molecular Weight (g/mol) | 187.036 |
| MDL Number | MFCD00000064 |
| SMILES | COC1=CC=CC=C1Br |
| Synonym | 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide |
| IUPAC Name | 1-bromo-2-methoxybenzene |
| InChI Key | HTDQSWDEWGSAMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
1,4-Dimethoxybenzene, 99+%
CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1
| PubChem CID | 9016 |
|---|---|
| CAS | 150-78-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00008401 |
| SMILES | COC1=CC=C(OC)C=C1 |
| Synonym | p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 |
| IUPAC Name | 1,4-dimethoxybenzene |
| InChI Key | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Mebendazole
CAS: 31431-39-7 Molecular Formula: C16H13N3O3 Molecular Weight (g/mol): 295.30 MDL Number: MFCD00057872 InChI Key: OPXLLQIJSORQAM-UHFFFAOYSA-N Synonym: mebendazole,vermox,telmin,mebenvet,pantelmin,vermirax,mebenoazole,ovitelmin,bantenol,mebutar PubChem CID: 4030 ChEBI: CHEBI:6704 IUPAC Name: methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CC=C1
| PubChem CID | 4030 |
|---|---|
| CAS | 31431-39-7 |
| Molecular Weight (g/mol) | 295.30 |
| ChEBI | CHEBI:6704 |
| MDL Number | MFCD00057872 |
| SMILES | COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CC=C1 |
| Synonym | mebendazole,vermox,telmin,mebenvet,pantelmin,vermirax,mebenoazole,ovitelmin,bantenol,mebutar |
| IUPAC Name | methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate |
| InChI Key | OPXLLQIJSORQAM-UHFFFAOYSA-N |
| Molecular Formula | C16H13N3O3 |
O-Acetylsalicylic acid, 99%
CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| PubChem CID | 2244 |
|---|---|
| CAS | 50-78-2 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:15365 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| Synonym | aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin |
| IUPAC Name | 2-acetyloxybenzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
2,4-Di-tert-butylphenol, 97%
CAS: 96-76-4 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
| PubChem CID | 7311 |
|---|---|
| CAS | 96-76-4 |
| MDL Number | MFCD00008828 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| Synonym | 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt |
| IUPAC Name | 2,4-ditert-butylphenol |
| InChI Key | ICKWICRCANNIBI-UHFFFAOYSA-N |
p-Toluidine 99.0+%, TCI America™
CAS: 106-49-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00007906 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) | 107.156 |
| ChEBI | CHEBI:37825 |
| MDL Number | MFCD00007906 |
| 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 |
Thermo Scientific Chemicals 5-Sulfosalicylic acid dihydrate, 99+%
CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol
| Molecular Weight (g/mol) | 250.27 |
|---|---|
| CAS Min % | 99.0 |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| PubChem CID | 2723734 |
| Name Note | p.a. |
| Percent Purity | 99+% |
| Fieser | 01,1118 |
| Infrared Spectrum | Authentic |
| Formula Weight | 254.22 |
| Melting Point | 106.0°C to 110.0°C |
| CAS Max % | 100.0 |
| Color | White |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | 5-Sulfosalicylic acid dihydrate |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Merck Index | 15, 9094 |
| Assay Percent Range | 99+% |
| CAS | 97-05-2 |
| Health Hazard 3 | GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if pre |
| MDL Number | MFCD00007508,MFCD00149540 |
| Health Hazard 2 | GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. |
| Solubility Information | Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether |
| Packaging | Plastic bottle |
| Health Hazard 1 | GHS Signal Word: Danger |
| 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 |
| Beilstein | 11, 411 |
| Molecular Formula | C9H14O6S |
Dimethyl terephthalate, 99%
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Phenyl ether, 99%
CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2
| PubChem CID | 7583 |
|---|---|
| CAS | 101-84-8 |
| Molecular Weight (g/mol) | 170.21 |
| ChEBI | CHEBI:39258 |
| MDL Number | MFCD00003034 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2 |
| Synonym | diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl |
| IUPAC Name | phenoxybenzene |
| InChI Key | USIUVYZYUHIAEV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |
Benzoyl Peroxide (wetted with ca. 25% Water) 75.0+%, TCI America™
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
| PubChem CID | 7187 |
|---|---|
| CAS | 94-36-0 |
| Molecular Weight (g/mol) | 242.23 |
| ChEBI | CHEBI:82405 |
| MDL Number | MFCD00003071 |
| SMILES | C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2 |
| Synonym | benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide |
| IUPAC Name | benzoyl benzenecarboperoxoate |
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
Ethyl 4-nitrobenzoate, 98%
CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 7457 |
|---|---|
| CAS | 99-77-4 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00007351 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate |
| IUPAC Name | ethyl 4-nitrobenzoate |
| InChI Key | PHWSCBWNPZDYRI-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |