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Benzenesulfonic acids and derivatives

Organosulfur compounds that consist of sulfonic acid bonded to a benzene ring. Includes compounds derived from benzenesulfonic acid.
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Keyword Search:
1 – 15 of 65 results
1

1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate 95.0+%, TCI America™

CAS: 1352947-63-7 Molecular Formula: C18H28N2O3S2 Molecular Weight (g/mol): 384.553 InChI Key: OVUBPNDERNKKQU-UHFFFAOYSA-M PubChem CID: 66552686 IUPAC Name: 4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfanylhexyl)imidazol-1-ium SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC

PubChem CID 66552686
CAS 1352947-63-7
Molecular Weight (g/mol) 384.553
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC
IUPAC Name 4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfanylhexyl)imidazol-1-ium
InChI Key OVUBPNDERNKKQU-UHFFFAOYSA-M
Molecular Formula C18H28N2O3S2
2

2-Chloro-1-methylpyridinium p-Toluenesulfonate 98.0+%, TCI America™

CAS: 7403-46-5 Molecular Formula: C13H14ClNO3S Molecular Weight (g/mol): 299.769 MDL Number: MFCD00011985 InChI Key: KWNGIKVZXFFZNN-UHFFFAOYSA-M PubChem CID: 10990220 IUPAC Name: 2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1Cl

PubChem CID 10990220
CAS 7403-46-5
Molecular Weight (g/mol) 299.769
MDL Number MFCD00011985
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1Cl
IUPAC Name 2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonate
InChI Key KWNGIKVZXFFZNN-UHFFFAOYSA-M
Molecular Formula C13H14ClNO3S
3

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
4

p-Toluenesulfonic acid monohydrate, 97.5%, pure

CAS: 6192-52-5 MDL Number: MFCD00142137 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

PubChem CID 521998
CAS 6192-52-5
MDL Number MFCD00142137
SMILES CC1=CC=C(C=C1)S(=O)(=O)O.O
Synonym p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate
IUPAC Name 4-methylbenzenesulfonic acid;hydrate
InChI Key KJIFKLIQANRMOU-UHFFFAOYSA-N
5

5-Sulfosalicylic Acid Dihydrate, 98%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

Molecular Weight (g/mol) 250.27
CAS Min % 97.5
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID 2723734
Percent Purity 98%
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 or Crystals
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 98%
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
6

Pentafluorophenyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™

CAS: 244633-31-6 Molecular Formula: C12H4F5NO5S Molecular Weight (g/mol): 369.22 MDL Number: MFCD05975120 InChI Key: DQKVZFMQPLLPMR-UHFFFAOYSA-N Synonym: 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester PubChem CID: 2783096 IUPAC Name: 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate SMILES: [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 2783096
CAS 244633-31-6
Molecular Weight (g/mol) 369.22
MDL Number MFCD05975120
SMILES [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
Synonym 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester
IUPAC Name 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate
InChI Key DQKVZFMQPLLPMR-UHFFFAOYSA-N
Molecular Formula C12H4F5NO5S
7

Ethyl O-Mesitylsulfonylacetohydroxamate 98.0+%, TCI America™

CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C

PubChem CID 6282444
CAS 38202-27-6
Molecular Weight (g/mol) 285.358
MDL Number MFCD00009244
SMILES CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
Synonym ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate
IUPAC Name ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate
InChI Key KQCBSWBQAXTILK-WYMLVPIESA-N
Molecular Formula C13H19NO4S
8

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid 95.0+%, TCI America™

CAS: 125662-60-4 Molecular Formula: C7H2F4O5S Molecular Weight (g/mol): 274.142 InChI Key: JNESNWCWZVATQY-UHFFFAOYSA-N PubChem CID: 19807654 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O

PubChem CID 19807654
CAS 125662-60-4
Molecular Weight (g/mol) 274.142
SMILES C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
IUPAC Name 2,3,5,6-tetrafluoro-4-sulfobenzoic acid
InChI Key JNESNWCWZVATQY-UHFFFAOYSA-N
Molecular Formula C7H2F4O5S
9

Suplatast Tosylate 98.0+%, TCI America™

CAS: 94055-76-2 Molecular Formula: C23H33NO7S2 Molecular Weight (g/mol): 499.64 MDL Number: MFCD00867604 InChI Key: RYVJQEZJUFRANT-UHFFFAOYNA-N Synonym: suplatast tosilate,suplatast tosylate,suplatast,suplatast tosilate inn,ccris 6596,suplatastum tosilas inn-latin,tosilate de suplatast inn-french,tosilato de suplatast inn-spanish,+--2-4-3-ethoxy-2-hydroxypropoxy phenyl carbamoyl ethyldimethylsulfonium p-tosylate PubChem CID: 71773 IUPAC Name: (2-{[4-(3-ethoxy-2-hydroxypropoxy)phenyl]carbamoyl}ethyl)dimethylsulfanium 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(O)COC1=CC=C(NC(=O)CC[S+](C)C)C=C1

PubChem CID 71773
CAS 94055-76-2
Molecular Weight (g/mol) 499.64
MDL Number MFCD00867604
SMILES CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(O)COC1=CC=C(NC(=O)CC[S+](C)C)C=C1
Synonym suplatast tosilate,suplatast tosylate,suplatast,suplatast tosilate inn,ccris 6596,suplatastum tosilas inn-latin,tosilate de suplatast inn-french,tosilato de suplatast inn-spanish,+--2-4-3-ethoxy-2-hydroxypropoxy phenyl carbamoyl ethyldimethylsulfonium p-tosylate
IUPAC Name (2-{[4-(3-ethoxy-2-hydroxypropoxy)phenyl]carbamoyl}ethyl)dimethylsulfanium 4-methylbenzene-1-sulfonate
InChI Key RYVJQEZJUFRANT-UHFFFAOYNA-N
Molecular Formula C23H33NO7S2
10

Sulfosalicylic Acid, Certified, 3.0% (w/v) ±0.1%, LabChem™
GSA_VA

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; bis(methane) 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; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
11

5-Sulfosalicylic acid dihydrate, ACS reagent

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
12

p-Toluenesulfonic acid monohydrate, ACS reagent

CAS: 6192-52-5 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

PubChem CID 521998
CAS 6192-52-5
SMILES CC1=CC=C(C=C1)S(=O)(=O)O.O
Synonym p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate
IUPAC Name 4-methylbenzenesulfonic acid;hydrate
InChI Key KJIFKLIQANRMOU-UHFFFAOYSA-N
13

5-Sulfosalicylic acid dihydrate, 98%

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 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
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
14

Sodium p-Toluenesulfonate 90.0+%, TCI America™

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-methylbenzene-1-sulfonate 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-methylbenzene-1-sulfonate
InChI Key KVCGISUBCHHTDD-UHFFFAOYSA-M
Molecular Formula C7H7NaO3S
15

4-Nitrobenzenesulfonic Acid Hydrate 98.0+%, TCI America™

CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 8740
CAS 138-42-1
Molecular Weight (g/mol) 203.17
MDL Number MFCD09037353
SMILES OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi
IUPAC Name 4-nitrobenzene-1-sulfonic acid
InChI Key SPXOTSHWBDUUMT-UHFFFAOYSA-N
Molecular Formula C6H5NO5S