Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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3,841 – 3,855 of 119,396 results

3,841

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4-(Trifluoromethoxy)aniline, 99%

CAS: 461-82-5 Molecular Formula: C₇H₆F₃NO Molecular Weight (g/mol): 177.12 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F

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Specifications

PubChem CID	600848
CAS	461-82-5
Molecular Weight (g/mol)	177.12
MDL Number	MFCD00041314
SMILES	C1=CC(=CC=C1N)OC(F)(F)F
Synonym	4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole
IUPAC Name	4-(trifluoromethoxy)aniline
InChI Key	XUJFOSLZQITUOI-UHFFFAOYSA-N
Molecular Formula	C₇H₆F₃NO

3,842

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4-n-Dodecyloxybenzoic acid, 98%

CAS: 2312-15-4 Molecular Formula: C19H30O3 Molecular Weight (g/mol): 306.45 MDL Number: MFCD00002543 InChI Key: ALQLYJHDBAKLBB-UHFFFAOYSA-N Synonym: 4-dodecyloxy benzoic acid,p-dodecyloxybenzoic acid,4-n-dodecyloxybenzoic acid,4-dodecyloxybenzoic acid,benzoic acid, 4-dodecyloxy,benzoic acid, p-dodecyloxy,p-dodecyloxy benzoic acid,4-dodecyloxy benzoicacid,pubchem2685,acmc-1crse PubChem CID: 75330 IUPAC Name: 4-dodecoxybenzoic acid SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	75330
CAS	2312-15-4
Molecular Weight (g/mol)	306.45
MDL Number	MFCD00002543
SMILES	CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O
Synonym	4-dodecyloxy benzoic acid,p-dodecyloxybenzoic acid,4-n-dodecyloxybenzoic acid,4-dodecyloxybenzoic acid,benzoic acid, 4-dodecyloxy,benzoic acid, p-dodecyloxy,p-dodecyloxy benzoic acid,4-dodecyloxy benzoicacid,pubchem2685,acmc-1crse
IUPAC Name	4-dodecoxybenzoic acid
InChI Key	ALQLYJHDBAKLBB-UHFFFAOYSA-N
Molecular Formula	C19H30O3

3,843

2-Phenoxyethanol, BAKER™, J.T. Baker™

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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Specifications

PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3,844

4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

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Specifications

PubChem CID	24229686
CAS	906353-00-2
Molecular Weight (g/mol)	230.22
MDL Number	MFCD09817529
SMILES	CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym	4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key	PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula	C12H10N2O3

3,845

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4-n-Hexyloxyaniline, 99%

CAS: 39905-57-2 Molecular Formula: C12H19NO Molecular Weight (g/mol): 193.29 MDL Number: MFCD00007868 InChI Key: DJRKHTCUXRGYEU-UHFFFAOYSA-N Synonym: 4-hexyloxyaniline,4-hexyloxy aniline,p-hexyloxyaniline,benzenamine, 4-hexyloxy,4-n-hexyloxyaniline,p-hexyloxy aniline,4-hexyloxy benzenamine,unii-vmx449yp3l,aniline, p-hexyloxy,vmx449yp3l PubChem CID: 38360 IUPAC Name: 4-hexoxyaniline SMILES: CCCCCCOC1=CC=C(N)C=C1

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Specifications

PubChem CID	38360
CAS	39905-57-2
Molecular Weight (g/mol)	193.29
MDL Number	MFCD00007868
SMILES	CCCCCCOC1=CC=C(N)C=C1
Synonym	4-hexyloxyaniline,4-hexyloxy aniline,p-hexyloxyaniline,benzenamine, 4-hexyloxy,4-n-hexyloxyaniline,p-hexyloxy aniline,4-hexyloxy benzenamine,unii-vmx449yp3l,aniline, p-hexyloxy,vmx449yp3l
IUPAC Name	4-hexoxyaniline
InChI Key	DJRKHTCUXRGYEU-UHFFFAOYSA-N
Molecular Formula	C12H19NO

3,846

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(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol, 97%

CAS: 163439-82-5 MDL Number: MFCD01073894 InChI Key: QJRIUWQPJVPYSO-GHMZBOCLSA-N Synonym: 3r,4r-1-benzylpyrrolidine-3,4-diol,3r,4r---1-benzyl-3,4-pyrrolidindiol,3r,4r---1-benzyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3r,4r,pubchem14982,trans-3,4-dihydroxy-n-benzylpyrrolidine,3r,4r-1-benzyl-3,4-pyrrolidinediol,3r-1-benzylpyrrolidine-3beta,4alpha-diol,3r,4r-rel-1-phenylmethyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol,1-phenylmethyl-, 3r,4r PubChem CID: 7021491 IUPAC Name: (3R,4R)-1-benzylpyrrolidine-3,4-diol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)O

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Specifications

PubChem CID	7021491
CAS	163439-82-5
MDL Number	MFCD01073894
SMILES	C1C(C(CN1CC2=CC=CC=C2)O)O
Synonym	3r,4r-1-benzylpyrrolidine-3,4-diol,3r,4r---1-benzyl-3,4-pyrrolidindiol,3r,4r---1-benzyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3r,4r,pubchem14982,trans-3,4-dihydroxy-n-benzylpyrrolidine,3r,4r-1-benzyl-3,4-pyrrolidinediol,3r-1-benzylpyrrolidine-3beta,4alpha-diol,3r,4r-rel-1-phenylmethyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol,1-phenylmethyl-, 3r,4r
IUPAC Name	(3R,4R)-1-benzylpyrrolidine-3,4-diol
InChI Key	QJRIUWQPJVPYSO-GHMZBOCLSA-N

3,847

4-(Pyrrolidin-1-ylmethyl)benzaldehyde, ≥97%, Thermo Scientific™

CAS: 650628-72-1 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 MDL Number: MFCD07782421 InChI Key: MTBYCACQSYAYCC-UHFFFAOYSA-N PubChem CID: 23090828 IUPAC Name: 4-(pyrrolidin-1-ylmethyl)benzaldehyde SMILES: C1CCN(C1)CC2=CC=C(C=C2)C=O

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Specifications

PubChem CID	23090828
CAS	650628-72-1
Molecular Weight (g/mol)	189.258
MDL Number	MFCD07782421
SMILES	C1CCN(C1)CC2=CC=C(C=C2)C=O
IUPAC Name	4-(pyrrolidin-1-ylmethyl)benzaldehyde
InChI Key	MTBYCACQSYAYCC-UHFFFAOYSA-N
Molecular Formula	C12H15NO

3,848

[4-(2-Morpholinoethoxy)phenyl]methylamine, 95%, Thermo Scientific™

CAS: 140836-69-7 Molecular Formula: C13H20N2O2 Molecular Weight (g/mol): 236.315 MDL Number: MFCD07772849 InChI Key: KMSJKJIIAVTIKY-UHFFFAOYSA-N Synonym: 4-2-morpholinoethoxy phenyl methylamine,4-2-morpholinoethoxy phenyl methanamine,4-2-morpholinoethoxy benzylamine,benzenemethanamine, 4-2-4-morpholinyl ethoxy,4-2-morpholin-4-yl-ethoxy benzylamine,4-2-morpholin-4-yl ethoxy phenyl methanamine,1-4-2-morpholin-4-yl ethoxy phenyl methanamine,acmc-1bwvj,4-2-morpholin-4-ylethoxy phenyl methanamine PubChem CID: 7164631 IUPAC Name: [4-(2-morpholin-4-ylethoxy)phenyl]methanamine SMILES: C1COCCN1CCOC2=CC=C(C=C2)CN

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Specifications

PubChem CID	7164631
CAS	140836-69-7
Molecular Weight (g/mol)	236.315
MDL Number	MFCD07772849
SMILES	C1COCCN1CCOC2=CC=C(C=C2)CN
Synonym	4-2-morpholinoethoxy phenyl methylamine,4-2-morpholinoethoxy phenyl methanamine,4-2-morpholinoethoxy benzylamine,benzenemethanamine, 4-2-4-morpholinyl ethoxy,4-2-morpholin-4-yl-ethoxy benzylamine,4-2-morpholin-4-yl ethoxy phenyl methanamine,1-4-2-morpholin-4-yl ethoxy phenyl methanamine,acmc-1bwvj,4-2-morpholin-4-ylethoxy phenyl methanamine
IUPAC Name	[4-(2-morpholin-4-ylethoxy)phenyl]methanamine
InChI Key	KMSJKJIIAVTIKY-UHFFFAOYSA-N
Molecular Formula	C13H20N2O2

3,849

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4-Methoxybenzylamine, 98+%

CAS: 2393-23-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008122 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN

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Specifications

PubChem CID	75452
CAS	2393-23-9
Molecular Weight (g/mol)	137.182
ChEBI	CHEBI:49837
MDL Number	MFCD00008122
SMILES	COC1=CC=C(C=C1)CN
Synonym	4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine
IUPAC Name	(4-methoxyphenyl)methanamine
InChI Key	IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula	C8H11NO

3,850

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2-Methylbenzylamine, 98%

CAS: 89-93-0 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN

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Specifications

PubChem CID	6993
CAS	89-93-0
Molecular Weight (g/mol)	121.183
MDL Number	MFCD00008112
SMILES	CC1=CC=CC=C1CN
Synonym	2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine
IUPAC Name	(2-methylphenyl)methanamine
InChI Key	CJAAPVQEZPAQNI-UHFFFAOYSA-N
Molecular Formula	C8H11N

3,851

N-Methyl-N-[4-(2-morpholin-4-ylethoxy)benzyl]amine, 95%, Thermo Scientific™

CAS: 852180-77-9 Molecular Formula: C14H22N2O2 Molecular Weight (g/mol): 250.342 MDL Number: MFCD07368554 InChI Key: CFDWJPMGCABITD-UHFFFAOYSA-N Synonym: n-methyl-n-4-2-morpholin-4-ylethoxy benzyl amine,methyl 4-2-morpholin-4-yl ethoxy phenyl methyl amine,benzenemethanamine,n-methyl-4-2-4-morpholinyl ethoxy,n-methyl-1-4-2-morpholin-4-ylethoxy phenyl methanamine,n-methyl-n-4-2-morpholin-4-ylethoxy benzylamine,n-methyl-1-4-2-morpholinoethoxy phenyl methanamine,methyl 4-2-morpholin-4-ylethoxy phenyl methyl amine PubChem CID: 7060587 IUPAC Name: N-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]methanamine SMILES: CNCC1=CC=C(C=C1)OCCN2CCOCC2

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Specifications

PubChem CID	7060587
CAS	852180-77-9
Molecular Weight (g/mol)	250.342
MDL Number	MFCD07368554
SMILES	CNCC1=CC=C(C=C1)OCCN2CCOCC2
Synonym	n-methyl-n-4-2-morpholin-4-ylethoxy benzyl amine,methyl 4-2-morpholin-4-yl ethoxy phenyl methyl amine,benzenemethanamine,n-methyl-4-2-4-morpholinyl ethoxy,n-methyl-1-4-2-morpholin-4-ylethoxy phenyl methanamine,n-methyl-n-4-2-morpholin-4-ylethoxy benzylamine,n-methyl-1-4-2-morpholinoethoxy phenyl methanamine,methyl 4-2-morpholin-4-ylethoxy phenyl methyl amine
IUPAC Name	N-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]methanamine
InChI Key	CFDWJPMGCABITD-UHFFFAOYSA-N
Molecular Formula	C14H22N2O2

3,852

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3-Methoxybenzylamine, 97%

CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: (3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1

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Specifications

PubChem CID	21156
CAS	5071-96-5
Molecular Weight (g/mol)	137.18
MDL Number	MFCD00008115
SMILES	COC1=CC=CC(CN)=C1
Synonym	3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4
IUPAC Name	(3-methoxyphenyl)methanamine
InChI Key	GRRIMVWABNHKBX-UHFFFAOYSA-N
Molecular Formula	C8H11NO

3,853

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4-Chlorobenzylamine, 97+%

CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl

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Specifications

PubChem CID	66036
CAS	104-86-9
Molecular Weight (g/mol)	141.598
MDL Number	MFCD00008121
SMILES	C1=CC(=CC=C1CN)Cl
Synonym	4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218
IUPAC Name	(4-chlorophenyl)methanamine
InChI Key	YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

3,854

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5-Sulfosalicylic Acid Dihydrate, 98%

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

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Specifications

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

3,855

p-Toluenesulfonic anhydride, 97%

CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.381 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C

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Specifications

PubChem CID	77773
CAS	4124-41-8
Molecular Weight (g/mol)	326.381
MDL Number	MFCD00008548
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
Synonym	p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride
IUPAC Name	(4-methylphenyl)sulfonyl 4-methylbenzenesulfonate
InChI Key	PDVFSPNIEOYOQL-UHFFFAOYSA-N
Molecular Formula	C14H14O5S2

Benzene and substituted derivatives

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