Benzenoids
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3-(Trifluoromethoxy)benzyl Alcohol 98.0+%, TCI America™
CAS: 50823-90-0 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.14 MDL Number: MFCD00061270 InChI Key: XRGSSROOYSFMMS-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzyl alcohol,3-trifluoromethoxy phenyl methanol,3-trifluoromethoxybenzyl alcohol,m-trifluoromethoxybenzyl alcohol,benzenemethanol, 3-trifluoromethoxy,3-trifluoromethoxy phenyl methan-1-ol,pubchem4682,acmc-1an32,ksc494a4t PubChem CID: 142783 IUPAC Name: [3-(trifluoromethoxy)phenyl]methanol SMILES: OCC1=CC=CC(OC(F)(F)F)=C1
| PubChem CID | 142783 |
|---|---|
| CAS | 50823-90-0 |
| Molecular Weight (g/mol) | 192.14 |
| MDL Number | MFCD00061270 |
| SMILES | OCC1=CC=CC(OC(F)(F)F)=C1 |
| Synonym | 3-trifluoromethoxy benzyl alcohol,3-trifluoromethoxy phenyl methanol,3-trifluoromethoxybenzyl alcohol,m-trifluoromethoxybenzyl alcohol,benzenemethanol, 3-trifluoromethoxy,3-trifluoromethoxy phenyl methan-1-ol,pubchem4682,acmc-1an32,ksc494a4t |
| IUPAC Name | [3-(trifluoromethoxy)phenyl]methanol |
| InChI Key | XRGSSROOYSFMMS-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
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 |
(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide 98.0+%, TCI America™
CAS: 116258-17-4 Molecular Formula: C12H18Br2N2 Molecular Weight (g/mol): 350.098 MDL Number: MFCD01321292 InChI Key: SOMPEQIPSQFVMO-AQEKLAMFSA-N PubChem CID: 14612542 IUPAC Name: (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide SMILES: C1C2CNC1CN2CC3=CC=CC=C3.Br.Br
| PubChem CID | 14612542 |
|---|---|
| CAS | 116258-17-4 |
| Molecular Weight (g/mol) | 350.098 |
| MDL Number | MFCD01321292 |
| SMILES | C1C2CNC1CN2CC3=CC=CC=C3.Br.Br |
| IUPAC Name | (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide |
| InChI Key | SOMPEQIPSQFVMO-AQEKLAMFSA-N |
| Molecular Formula | C12H18Br2N2 |
4-Hydroxybenzenesulfonamide 97.0+%, TCI America™
CAS: 1576-43-8 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00059190 InChI Key: DIRCLGLKRZLKHG-UHFFFAOYSA-N Synonym: p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide PubChem CID: 74093 IUPAC Name: 4-hydroxybenzenesulfonamide SMILES: C1=CC(=CC=C1O)S(=O)(=O)N
| PubChem CID | 74093 |
|---|---|
| CAS | 1576-43-8 |
| Molecular Weight (g/mol) | 173.186 |
| MDL Number | MFCD00059190 |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)N |
| Synonym | p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide |
| IUPAC Name | 4-hydroxybenzenesulfonamide |
| InChI Key | DIRCLGLKRZLKHG-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
Bis(3-bromophenyl)acetylene 97.0+%, TCI America™
CAS: 153404-60-5 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD11111154 InChI Key: WSXUXTVJTIPBAF-UHFFFAOYSA-N PubChem CID: 12022272 IUPAC Name: 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1
| PubChem CID | 12022272 |
|---|---|
| CAS | 153404-60-5 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD11111154 |
| SMILES | BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1 |
| IUPAC Name | 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene |
| InChI Key | WSXUXTVJTIPBAF-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |
N-Fluorobenzenesulfonimide 97.0+%, TCI America™
CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.333 MDL Number: MFCD00144885 InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N Synonym: n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine PubChem CID: 588007 IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 588007 |
|---|---|
| CAS | 133745-75-2 |
| Molecular Weight (g/mol) | 315.333 |
| MDL Number | MFCD00144885 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine |
| IUPAC Name | N-(benzenesulfonyl)-N-fluorobenzenesulfonamide |
| InChI Key | RLKHFSNWQCZBDC-UHFFFAOYSA-N |
| Molecular Formula | C12H10FNO4S2 |
3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide 98.0+%, TCI America™
CAS: 480424-93-9 Molecular Formula: C14H20BNO3 Molecular Weight (g/mol): 261.128 MDL Number: MFCD03789261 InChI Key: CZFSGYCLOCCASM-UHFFFAOYSA-N Synonym: 3-Acetamidophenylboronic Acid Pinacol Ester, 2-(3-Acetamidophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 2773989 IUPAC Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C
| PubChem CID | 2773989 |
|---|---|
| CAS | 480424-93-9 |
| Molecular Weight (g/mol) | 261.128 |
| MDL Number | MFCD03789261 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C |
| Synonym | 3-Acetamidophenylboronic Acid Pinacol Ester, 2-(3-Acetamidophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI Key | CZFSGYCLOCCASM-UHFFFAOYSA-N |
| Molecular Formula | C14H20BNO3 |
sec-Butylbenzene 99.0+%, TCI America™
CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1
| PubChem CID | 8680 |
|---|---|
| CAS | 135-98-8 |
| Molecular Weight (g/mol) | 134.222 |
| ChEBI | CHEBI:35097 |
| MDL Number | MFCD00009329 |
| SMILES | CCC(C)C1=CC=CC=C1 |
| Synonym | sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene |
| IUPAC Name | butan-2-ylbenzene |
| InChI Key | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
2-Nitroso-1-naphthol 98.0+%, TCI America™
CAS: 132-53-6 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00003932 InChI Key: SYUYTOYKQOAVDW-UHFFFAOYSA-N Synonym: 2-nitroso-1-naphthol,2-nitrosonaphthol,1-naphthalenol, 2-nitroso,1-naphthol, 2-nitroso,1,2-naphthoquinone 2-oxime,nitrosonaphthol,.beta.-nitrosonaphthol,unii-cc0s5ho41v,beta-nitroso-alpha-naphthol,1,2-naphthalenedione, 2-oxime PubChem CID: 8592 IUPAC Name: 2-nitrosonaphthalen-1-ol SMILES: OC1=C2C=CC=CC2=CC=C1N=O
| PubChem CID | 8592 |
|---|---|
| CAS | 132-53-6 |
| Molecular Weight (g/mol) | 173.17 |
| MDL Number | MFCD00003932 |
| SMILES | OC1=C2C=CC=CC2=CC=C1N=O |
| Synonym | 2-nitroso-1-naphthol,2-nitrosonaphthol,1-naphthalenol, 2-nitroso,1-naphthol, 2-nitroso,1,2-naphthoquinone 2-oxime,nitrosonaphthol,.beta.-nitrosonaphthol,unii-cc0s5ho41v,beta-nitroso-alpha-naphthol,1,2-naphthalenedione, 2-oxime |
| IUPAC Name | 2-nitrosonaphthalen-1-ol |
| InChI Key | SYUYTOYKQOAVDW-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
Phenyl Trimethylsilylmethyl Sulfone 95.0+%, TCI America™
CAS: 17872-92-3 Molecular Formula: C10H16O2SSi Molecular Weight (g/mol): 228.38 MDL Number: MFCD00012364 InChI Key: OEXJFEDAGJGOEP-UHFFFAOYSA-N Synonym: (Phenylsulfonylmethyl)trimethylsilane PubChem CID: 3290840 IUPAC Name: [(benzenesulfonyl)methyl]trimethylsilane SMILES: C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 3290840 |
|---|---|
| CAS | 17872-92-3 |
| Molecular Weight (g/mol) | 228.38 |
| MDL Number | MFCD00012364 |
| SMILES | C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1 |
| Synonym | (Phenylsulfonylmethyl)trimethylsilane |
| IUPAC Name | [(benzenesulfonyl)methyl]trimethylsilane |
| InChI Key | OEXJFEDAGJGOEP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2SSi |
4-(Dimethylamino)stilbene 99.0+%, TCI America™
CAS: 1145-73-9 Molecular Formula: C16H17N Molecular Weight (g/mol): 223.319 MDL Number: MFCD00017151 InChI Key: XGHHHPDRXLIMPM-CMDGGOBGSA-N PubChem CID: 640024 IUPAC Name: N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC=CC=C2
| PubChem CID | 640024 |
|---|---|
| CAS | 1145-73-9 |
| Molecular Weight (g/mol) | 223.319 |
| MDL Number | MFCD00017151 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC2=CC=CC=C2 |
| IUPAC Name | N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline |
| InChI Key | XGHHHPDRXLIMPM-CMDGGOBGSA-N |
| Molecular Formula | C16H17N |
2-Bromoaniline Hydrochloride 97.0+%, TCI America™
CAS: 94718-79-3 Molecular Formula: C6H7BrClN Molecular Weight (g/mol): 208.483 MDL Number: MFCD00060215 InChI Key: UDIKHQMWHQJPNT-UHFFFAOYSA-N PubChem CID: 12211864 IUPAC Name: 2-bromoaniline;hydrochloride SMILES: C1=CC=C(C(=C1)N)Br.Cl
| PubChem CID | 12211864 |
|---|---|
| CAS | 94718-79-3 |
| Molecular Weight (g/mol) | 208.483 |
| MDL Number | MFCD00060215 |
| SMILES | C1=CC=C(C(=C1)N)Br.Cl |
| IUPAC Name | 2-bromoaniline;hydrochloride |
| InChI Key | UDIKHQMWHQJPNT-UHFFFAOYSA-N |
| Molecular Formula | C6H7BrClN |
2-Isopropylaniline 98.0+%, TCI America™
CAS: 643-28-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007720 InChI Key: YKOLZVXSPGIIBJ-UHFFFAOYSA-N Synonym: 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline PubChem CID: 12561 IUPAC Name: 2-(propan-2-yl)aniline SMILES: CC(C)C1=CC=CC=C1N
| PubChem CID | 12561 |
|---|---|
| CAS | 643-28-7 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00007720 |
| SMILES | CC(C)C1=CC=CC=C1N |
| Synonym | 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline |
| IUPAC Name | 2-(propan-2-yl)aniline |
| InChI Key | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
4-Hydroxy-3-methylbenzoic Acid 98.0+%, TCI America™
CAS: 499-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00270105 InChI Key: LTFHNKUKQYVHDX-UHFFFAOYSA-N Synonym: 4-hydroxy-m-toluic acid,3-methyl-4-hydroxybenzoic acid,4-hydroxy-3-methyl-benzoic acid,4,3-cresotic acid,4-hydroxy-3-methylbenzoate,benzoic acid, 4-hydroxy-3-methyl,4-hydroxy-m-toluate,pubchem20044,acmc-209kj4,3-methyl-4-hydroxybenzoate PubChem CID: 68138 ChEBI: CHEBI:85239 IUPAC Name: 4-hydroxy-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1O)C(O)=O
| PubChem CID | 68138 |
|---|---|
| CAS | 499-76-3 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:85239 |
| MDL Number | MFCD00270105 |
| SMILES | CC1=CC(=CC=C1O)C(O)=O |
| Synonym | 4-hydroxy-m-toluic acid,3-methyl-4-hydroxybenzoic acid,4-hydroxy-3-methyl-benzoic acid,4,3-cresotic acid,4-hydroxy-3-methylbenzoate,benzoic acid, 4-hydroxy-3-methyl,4-hydroxy-m-toluate,pubchem20044,acmc-209kj4,3-methyl-4-hydroxybenzoate |
| IUPAC Name | 4-hydroxy-3-methylbenzoic acid |
| InChI Key | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |