Benzene and substituted derivatives
Filtered Search Results
2-Isopropenyltoluene (stabilized with BHT) 98.0+%, TCI America™
CAS: 7399-49-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C
| PubChem CID | 81886 |
|---|---|
| CAS | 7399-49-7 |
| Molecular Weight (g/mol) | 132.206 |
| MDL Number | MFCD00049092 |
| SMILES | CC1=CC=CC=C1C(=C)C |
| IUPAC Name | 1-methyl-2-prop-1-en-2-ylbenzene |
| InChI Key | OGMSGZZPTQNTIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
2-Hydroxyterephthalic Acid 98.0+%, TCI America™
CAS: 636-94-2 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD09835368 InChI Key: CDOWNLMZVKJRSC-UHFFFAOYSA-N PubChem CID: 97257 IUPAC Name: 2-hydroxyterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)C(=O)O
| PubChem CID | 97257 |
|---|---|
| CAS | 636-94-2 |
| Molecular Weight (g/mol) | 182.131 |
| MDL Number | MFCD09835368 |
| SMILES | C1=CC(=C(C=C1C(=O)O)O)C(=O)O |
| IUPAC Name | 2-hydroxyterephthalic acid |
| InChI Key | CDOWNLMZVKJRSC-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
Cyhalofop Butyl 97.0+%, TCI America™
CAS: 122008-85-9 Molecular Formula: C20H20FNO4 Molecular Weight (g/mol): 357.381 MDL Number: MFCD01631151 InChI Key: TYIYMOAHACZAMQ-CQSZACIVSA-N Synonym: Butyl (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionate, (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionic Acid Butyl Ester PubChem CID: 180089 ChEBI: CHEBI:81863 IUPAC Name: butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate SMILES: CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
| PubChem CID | 180089 |
|---|---|
| CAS | 122008-85-9 |
| Molecular Weight (g/mol) | 357.381 |
| ChEBI | CHEBI:81863 |
| MDL Number | MFCD01631151 |
| SMILES | CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F |
| Synonym | Butyl (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionate, (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionic Acid Butyl Ester |
| IUPAC Name | butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate |
| InChI Key | TYIYMOAHACZAMQ-CQSZACIVSA-N |
| Molecular Formula | C20H20FNO4 |
1-Fluoro-2-iodobenzene 99.0+%, TCI America™
CAS: 348-52-7 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001031 InChI Key: TYHUGKGZNOULKD-UHFFFAOYSA-N Synonym: 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene PubChem CID: 67673 IUPAC Name: 1-fluoro-2-iodobenzene SMILES: FC1=CC=CC=C1I
| PubChem CID | 67673 |
|---|---|
| CAS | 348-52-7 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001031 |
| SMILES | FC1=CC=CC=C1I |
| Synonym | 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene |
| IUPAC Name | 1-fluoro-2-iodobenzene |
| InChI Key | TYHUGKGZNOULKD-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |
3-Nitrophthalic Acid 98.0+%, TCI America™
CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69043 |
|---|---|
| CAS | 603-11-2 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007138 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid |
| InChI Key | KFIRODWJCYBBHY-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
2-Nitroanisole 98.0+%, TCI America™
CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 7048 |
|---|---|
| CAS | 91-23-6 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:48722 |
| MDL Number | MFCD00007096 |
| SMILES | COC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene |
| IUPAC Name | 1-methoxy-2-nitrobenzene |
| InChI Key | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-Bromo-2-nitrobenzaldehyde 96.0+%, TCI America™
CAS: 5551-12-2 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.02 MDL Number: MFCD00463687 InChI Key: GSXUXSXBEUJRAJ-UHFFFAOYSA-N PubChem CID: 608099 IUPAC Name: 4-bromo-2-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O
| PubChem CID | 608099 |
|---|---|
| CAS | 5551-12-2 |
| Molecular Weight (g/mol) | 230.02 |
| MDL Number | MFCD00463687 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O |
| IUPAC Name | 4-bromo-2-nitrobenzaldehyde |
| InChI Key | GSXUXSXBEUJRAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO3 |
Ethyl (Triphenylphosphoranylidene)acetate 98.0+%, TCI America™
CAS: 1099-45-2 Molecular Formula: C22H21O2P Molecular Weight (g/mol): 348.38 MDL Number: MFCD00009183 InChI Key: IIHPVYJPDKJYOU-UHFFFAOYSA-N Synonym: carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane PubChem CID: 70670 IUPAC Name: ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate SMILES: CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70670 |
|---|---|
| CAS | 1099-45-2 |
| Molecular Weight (g/mol) | 348.38 |
| MDL Number | MFCD00009183 |
| SMILES | CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane |
| IUPAC Name | ethyl 2-(triphenyl-λ⁵-phosphanylidene)acetate |
| InChI Key | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| Molecular Formula | C22H21O2P |
2-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br
| PubChem CID | 2773294 |
|---|---|
| CAS | 244205-40-1 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD01114672 |
| SMILES | OB(O)C1=CC=CC=C1Br |
| Synonym | 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid |
| IUPAC Name | (2-bromophenyl)boronic acid |
| InChI Key | PLVCYMZAEQRYHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
1,2,3,4-Tetra-O-acetyl-alpha-L-fucopyranose 98.0+%, TCI America™
CAS: 64913-16-2 Molecular Formula: C14H20O9 Molecular Weight (g/mol): 332.305 MDL Number: MFCD00069791 InChI Key: QZQMGQQOGJIDKJ-CSHNMWLISA-N Synonym: alpha-L-Fucopyranose 1,2,3,4-Tetraacetate PubChem CID: 11088873 IUPAC Name: [(2S,3R,4R,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate SMILES: CC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 11088873 |
|---|---|
| CAS | 64913-16-2 |
| Molecular Weight (g/mol) | 332.305 |
| MDL Number | MFCD00069791 |
| SMILES | CC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | alpha-L-Fucopyranose 1,2,3,4-Tetraacetate |
| IUPAC Name | [(2S,3R,4R,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate |
| InChI Key | QZQMGQQOGJIDKJ-CSHNMWLISA-N |
| Molecular Formula | C14H20O9 |
3-Phenylpropylamine 97.0+%, TCI America™
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
| PubChem CID | 16259 |
|---|---|
| CAS | 2038-57-5 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008224 |
| SMILES | NCCCC1=CC=CC=C1 |
| Synonym | 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine |
| IUPAC Name | 3-phenylpropan-1-amine |
| InChI Key | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Verapamil Hydrochloride 98.0+%, TCI America™
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
| PubChem CID | 62969 |
|---|---|
| CAS | 152-11-4 |
| Molecular Weight (g/mol) | 491.069 |
| MDL Number | MFCD00055208 |
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl |
| Synonym | verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride |
| InChI Key | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
| Molecular Formula | C27H39ClN2O4 |
Tebuconazole 98.0+%, TCI America™
CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N Synonym: tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
| PubChem CID | 86102 |
|---|---|
| CAS | 107534-96-3 |
| Molecular Weight (g/mol) | 307.82 |
| ChEBI | CHEBI:83779 |
| MDL Number | MFCD02674797 |
| SMILES | CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 |
| Synonym | tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 |
| IUPAC Name | 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol |
| InChI Key | PXMNMQRDXWABCY-UHFFFAOYNA-N |
| Molecular Formula | C16H22ClN3O |
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane 97.0+%, TCI America™
CAS: 18084-64-5 Molecular Formula: C36H44N4 Molecular Weight (g/mol): 532.776 InChI Key: VXOJKUWHCFFUCO-UHFFFAOYSA-N PubChem CID: 428363 IUPAC Name: 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane SMILES: C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
| PubChem CID | 428363 |
|---|---|
| CAS | 18084-64-5 |
| Molecular Weight (g/mol) | 532.776 |
| SMILES | C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5 |
| IUPAC Name | 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane |
| InChI Key | VXOJKUWHCFFUCO-UHFFFAOYSA-N |
| Molecular Formula | C36H44N4 |
Tetrabromofluorescein Potassium Salt 85.0+%, TCI America™
CAS: 56897-54-2 Molecular Formula: C20H6Br4K2O5 Molecular Weight (g/mol): 724.076 MDL Number: MFCD00070510 InChI Key: GZAAPEKTGHKWRZ-UHFFFAOYSA-L PubChem CID: 12598436 IUPAC Name: dipotassium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate SMILES: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[K+].[K+]
| PubChem CID | 12598436 |
|---|---|
| CAS | 56897-54-2 |
| Molecular Weight (g/mol) | 724.076 |
| MDL Number | MFCD00070510 |
| SMILES | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[K+].[K+] |
| IUPAC Name | dipotassium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate |
| InChI Key | GZAAPEKTGHKWRZ-UHFFFAOYSA-L |
| Molecular Formula | C20H6Br4K2O5 |