Benzene and substituted derivatives
Filtered Search Results
Ethyl 4-Nitrobenzoate 98.0+%, TCI America™
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 |
2-Nitroisophthalic Acid 95.0+%, TCI America™
CAS: 21161-11-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00017007 InChI Key: CAHWDGJDQYAFHM-UHFFFAOYSA-N PubChem CID: 88806 SMILES: C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O
| PubChem CID | 88806 |
|---|---|
| CAS | 21161-11-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00017007 |
| SMILES | C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O |
| InChI Key | CAHWDGJDQYAFHM-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
4-Nitrosalicylic Acid 98.0+%, TCI America™
CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
| PubChem CID | 69266 |
|---|---|
| CAS | 619-19-2 |
| Molecular Weight (g/mol) | 183.12 |
| MDL Number | MFCD00071505 |
| SMILES | OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O |
| Synonym | 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure |
| IUPAC Name | 2-hydroxy-4-nitrobenzoic acid |
| InChI Key | UKWUOTZGXIZAJC-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
Pentafluoroiodobenzene (stabilized with Copper chip) 99.0+%, TCI America™
CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.962 MDL Number: MFCD00001032 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F
| PubChem CID | 70008 |
|---|---|
| CAS | 827-15-6 |
| Molecular Weight (g/mol) | 293.962 |
| MDL Number | MFCD00001032 |
| SMILES | C1(=C(C(=C(C(=C1F)F)I)F)F)F |
| Synonym | iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-iodobenzene |
| InChI Key | OPYHNLNYCRZOGY-UHFFFAOYSA-N |
| Molecular Formula | C6F5I |
Phenyl[2-(trimethylsilyl)phenyl]iodonium Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 164594-13-2 Molecular Formula: C16H18F3IO3SSi Molecular Weight (g/mol): 502.362 InChI Key: GSCTXOAWWNOUFK-UHFFFAOYSA-M Synonym: Phenyl[2-(trimethylsilyl)phenyl]iodonium Triflate PubChem CID: 10885617 IUPAC Name: phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 10885617 |
|---|---|
| CAS | 164594-13-2 |
| Molecular Weight (g/mol) | 502.362 |
| SMILES | C[Si](C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | Phenyl[2-(trimethylsilyl)phenyl]iodonium Triflate |
| IUPAC Name | phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate |
| InChI Key | GSCTXOAWWNOUFK-UHFFFAOYSA-M |
| Molecular Formula | C16H18F3IO3SSi |
3-Iodo-1,2,4,5-tetramethylbenzene 98.0+%, TCI America™
CAS: 2100-25-6 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.12 MDL Number: MFCD00013705 InChI Key: MCRSYYLHVQGFNR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene PubChem CID: 75011 IUPAC Name: 3-iodo-1,2,4,5-tetramethylbenzene SMILES: CC1=CC(C)=C(C)C(I)=C1C
| PubChem CID | 75011 |
|---|---|
| CAS | 2100-25-6 |
| Molecular Weight (g/mol) | 260.12 |
| MDL Number | MFCD00013705 |
| SMILES | CC1=CC(C)=C(C)C(I)=C1C |
| Synonym | 2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene |
| IUPAC Name | 3-iodo-1,2,4,5-tetramethylbenzene |
| InChI Key | MCRSYYLHVQGFNR-UHFFFAOYSA-N |
| Molecular Formula | C10H13I |
Sodium 2-Iodobenzenesulfonate 97.0+%, TCI America™
CAS: 62973-69-7 Molecular Formula: C6H4INaO3S Molecular Weight (g/mol): 306.049 MDL Number: MFCD12031329 InChI Key: KIPWXZMYZCPXGE-UHFFFAOYSA-M Synonym: 2-Iodobenzenesulfonic Acid Sodium Salt PubChem CID: 23662047 IUPAC Name: sodium;2-iodobenzenesulfonate SMILES: C1=CC=C(C(=C1)S(=O)(=O)[O-])I.[Na+]
| PubChem CID | 23662047 |
|---|---|
| CAS | 62973-69-7 |
| Molecular Weight (g/mol) | 306.049 |
| MDL Number | MFCD12031329 |
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)[O-])I.[Na+] |
| Synonym | 2-Iodobenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2-iodobenzenesulfonate |
| InChI Key | KIPWXZMYZCPXGE-UHFFFAOYSA-M |
| Molecular Formula | C6H4INaO3S |
Tribromomethyl Phenyl Sulfone 97.0+%, TCI America™
CAS: 17025-47-7 Molecular Formula: C7H5Br3O2S Molecular Weight (g/mol): 392.887 MDL Number: MFCD00060068 InChI Key: DWWMSEANWMWMCB-UHFFFAOYSA-N Synonym: Phenyl Tribromomethyl Sulfone PubChem CID: 86912 IUPAC Name: tribromomethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br
| PubChem CID | 86912 |
|---|---|
| CAS | 17025-47-7 |
| Molecular Weight (g/mol) | 392.887 |
| MDL Number | MFCD00060068 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| Synonym | Phenyl Tribromomethyl Sulfone |
| IUPAC Name | tribromomethylsulfonylbenzene |
| InChI Key | DWWMSEANWMWMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O2S |
Phenylsulfonylacetonitrile 98.0+%, TCI America™
CAS: 7605-28-9 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.209 MDL Number: MFCD00007550 InChI Key: ZFCFFNGBCVAUDE-UHFFFAOYSA-N Synonym: benzenesulfonylacetonitrile,phenylsulfonyl acetonitrile,2-phenylsulfonyl acetonitrile,phenylsulfonylacetonitrile,2-benzenesulfonyl acetonitrile,phenylsulphonylacetonitrile,acetonitrile, phenylsulfonyl,benzenesulphonyl acetonitrile,benzenesulfonyl-acetonitrile,2-phenylsulfonyl ethanenitrile PubChem CID: 82077 IUPAC Name: 2-(benzenesulfonyl)acetonitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CC#N
| PubChem CID | 82077 |
|---|---|
| CAS | 7605-28-9 |
| Molecular Weight (g/mol) | 181.209 |
| MDL Number | MFCD00007550 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC#N |
| Synonym | benzenesulfonylacetonitrile,phenylsulfonyl acetonitrile,2-phenylsulfonyl acetonitrile,phenylsulfonylacetonitrile,2-benzenesulfonyl acetonitrile,phenylsulphonylacetonitrile,acetonitrile, phenylsulfonyl,benzenesulphonyl acetonitrile,benzenesulfonyl-acetonitrile,2-phenylsulfonyl ethanenitrile |
| IUPAC Name | 2-(benzenesulfonyl)acetonitrile |
| InChI Key | ZFCFFNGBCVAUDE-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2S |
2,2'-Sulfonylbis(4-tert-octylphenol) 96.0+%, TCI America™
CAS: 15452-89-8 Molecular Formula: C28H42O4S Molecular Weight (g/mol): 474.7 MDL Number: MFCD00026328 InChI Key: LMTGYJHIOQZSAA-UHFFFAOYSA-N Synonym: Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone PubChem CID: 84923 IUPAC Name: 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O
| PubChem CID | 84923 |
|---|---|
| CAS | 15452-89-8 |
| Molecular Weight (g/mol) | 474.7 |
| MDL Number | MFCD00026328 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O |
| Synonym | Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone |
| IUPAC Name | 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | LMTGYJHIOQZSAA-UHFFFAOYSA-N |
| Molecular Formula | C28H42O4S |
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide 98.0+%, TCI America™
CAS: 616880-14-9 Molecular Formula: C13H20BNO4S Molecular Weight (g/mol): 297.176 MDL Number: MFCD05663876 InChI Key: NPSPNWPZDXQYAC-UHFFFAOYSA-N Synonym: n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester PubChem CID: 16217653 IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C
| PubChem CID | 16217653 |
|---|---|
| CAS | 616880-14-9 |
| Molecular Weight (g/mol) | 297.176 |
| MDL Number | MFCD05663876 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C |
| Synonym | n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| InChI Key | NPSPNWPZDXQYAC-UHFFFAOYSA-N |
| Molecular Formula | C13H20BNO4S |
2-Nitrophenol Sodium Salt 99.0+%, TCI America™
CAS: 824-39-5 Molecular Formula: C6H4NNaO3 Molecular Weight (g/mol): 161.092 MDL Number: MFCD00065178 InChI Key: AXKBOWBNOCUNJL-UHFFFAOYSA-M Synonym: Sodium 2-Nitrophenol PubChem CID: 69985 IUPAC Name: sodium;2-nitrophenolate SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]
| PubChem CID | 69985 |
|---|---|
| CAS | 824-39-5 |
| Molecular Weight (g/mol) | 161.092 |
| MDL Number | MFCD00065178 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+] |
| Synonym | Sodium 2-Nitrophenol |
| IUPAC Name | sodium;2-nitrophenolate |
| InChI Key | AXKBOWBNOCUNJL-UHFFFAOYSA-M |
| Molecular Formula | C6H4NNaO3 |
Aniline Hydrogen Phthalate 98.0+%, TCI America™
CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 MDL Number: MFCD00042034 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
| PubChem CID | 170940 |
|---|---|
| CAS | 50930-79-5 |
| Molecular Weight (g/mol) | 259.261 |
| MDL Number | MFCD00042034 |
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| Synonym | aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt |
| IUPAC Name | aniline;phthalic acid |
| InChI Key | QGPZXNSBZMHHSR-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO4 |
Ethyl o-Toluate 98.0+%, TCI America™
CAS: 87-24-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009112 InChI Key: SOUAXOGPALPTTC-UHFFFAOYSA-N Synonym: ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate PubChem CID: 66598 IUPAC Name: ethyl 2-methylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1C
| PubChem CID | 66598 |
|---|---|
| CAS | 87-24-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009112 |
| SMILES | CCOC(=O)C1=CC=CC=C1C |
| Synonym | ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate |
| IUPAC Name | ethyl 2-methylbenzoate |
| InChI Key | SOUAXOGPALPTTC-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Tolylene-2,4-diisocyanate 98.0+%, TCI America™
CAS: 584-84-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002011 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O
| PubChem CID | 11443 |
|---|---|
| CAS | 584-84-9 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53556 |
| MDL Number | MFCD00002011 |
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O |
| Synonym | 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate |
| IUPAC Name | 2,4-diisocyanato-1-methylbenzene |
| InChI Key | DVKJHBMWWAPEIU-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |