Benzene and substituted derivatives
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Tamoxifen, 98%
CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N Synonym: tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol PubChem CID: 2733526 ChEBI: CHEBI:41774 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733526 |
|---|---|
| CAS | 10540-29-1 |
| Molecular Weight (g/mol) | 371.52 |
| ChEBI | CHEBI:41774 |
| MDL Number | MFCD00010454 |
| SMILES | CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine |
| InChI Key | NKANXQFJJICGDU-QPLCGJKRSA-N |
| Molecular Formula | C26H29NO |
Benzyl Alcohol (Certified ACS), Fisher Chemical™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
2-Hydroxy-5-nitrobenzaldehyde, 98+%
CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 66808 |
|---|---|
| CAS | 97-51-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007337 |
| SMILES | OC1=CC=C(C=C1C=O)[N+]([O-])=O |
| Synonym | 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 |
| IUPAC Name | 2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | IHFRMUGEILMHNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
o-Anisidine, 98+%
CAS: 90-04-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007688 InChI Key: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC Name: 2-methoxyaniline SMILES: COC1=CC=CC=C1N
| PubChem CID | 7000 |
|---|---|
| CAS | 90-04-0 |
| Molecular Weight (g/mol) | 123.15 |
| ChEBI | CHEBI:82288 |
| MDL Number | MFCD00007688 |
| SMILES | COC1=CC=CC=C1N |
| Synonym | o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine |
| IUPAC Name | 2-methoxyaniline |
| InChI Key | VMPITZXILSNTON-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Sodium 3-Methylsalicylate 97.0+%, TCI America™
CAS: 32768-20-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00058985 InChI Key: ODAXNLPYGWAGTH-UHFFFAOYSA-M Synonym: o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt PubChem CID: 23668291 IUPAC Name: sodium;2-hydroxy-3-methylbenzoate SMILES: CC1=CC=CC(=C1O)C(=O)[O-].[Na+]
| PubChem CID | 23668291 |
|---|---|
| CAS | 32768-20-0 |
| Molecular Weight (g/mol) | 174.131 |
| MDL Number | MFCD00058985 |
| SMILES | CC1=CC=CC(=C1O)C(=O)[O-].[Na+] |
| Synonym | o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt |
| IUPAC Name | sodium;2-hydroxy-3-methylbenzoate |
| InChI Key | ODAXNLPYGWAGTH-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
1,3-Dioxolane, 99%, Spectrum™ Chemical
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CAS: 646-06-0
| CAS | 646-06-0 |
|---|
Butylated Hydroxytoluene, 99.5%, MP Biomedicals™
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.356 |
| ChEBI | CHEBI:34247 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
Eugenol, USP, Spectrum™ Chemical
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CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O
| CAS | 97-53-0 |
|---|---|
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008654 |
| SMILES | COC1=CC(CC=C)=CC=C1O |
| IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenol |
| InChI Key | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Selectophore™ Dipentyl phthalate, 99.0%, MilliporeSigma™ Supelco™
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.40 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N IUPAC Name: 1,2-dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
| CAS | 131-18-0 |
|---|---|
| Molecular Weight (g/mol) | 306.40 |
| MDL Number | MFCD00041934 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| IUPAC Name | 1,2-dipentyl benzene-1,2-dicarboxylate |
| InChI Key | IPKKHRVROFYTEK-UHFFFAOYSA-N |
| Molecular Formula | C18H26O4 |
Tetrakis(triphenylphosphine)palladium(0), 99.8% (metals basis), Pd 9% min
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N PubChem CID: 11979704 SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979704 |
|---|---|
| CAS | 14221-01-3 |
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |
4'-Acetylbenzo-18-crown 6-Ether 97.0+%, TCI America™
CAS: 41855-35-0 Molecular Formula: C18H26O7 Molecular Weight (g/mol): 354.399 MDL Number: MFCD00188456 InChI Key: GOVDFSVHYMATAJ-UHFFFAOYSA-N Synonym: 2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 3660800 IUPAC Name: 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
| PubChem CID | 3660800 |
|---|---|
| CAS | 41855-35-0 |
| Molecular Weight (g/mol) | 354.399 |
| MDL Number | MFCD00188456 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2 |
| Synonym | 2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone |
| InChI Key | GOVDFSVHYMATAJ-UHFFFAOYSA-N |
| Molecular Formula | C18H26O7 |
2,6-Difluorobenzaldehyde, 97%
CAS: 437-81-0 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010293 InChI Key: SOWRUJSGHKNOKN-UHFFFAOYSA-N Synonym: 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde PubChem CID: 136284 IUPAC Name: 2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)F
| PubChem CID | 136284 |
|---|---|
| CAS | 437-81-0 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010293 |
| SMILES | C1=CC(=C(C(=C1)F)C=O)F |
| Synonym | 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde |
| IUPAC Name | 2,6-difluorobenzaldehyde |
| InChI Key | SOWRUJSGHKNOKN-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
Methyl Green, TCI America™
CAS: 82-94-0 Molecular Formula: C26H33Cl2N3 Molecular Weight (g/mol): 458.471 MDL Number: MFCD00011879 InChI Key: DWCZIOOZPIDHAB-UHFFFAOYSA-L Synonym: Basic Blue 20 PubChem CID: 6727 ChEBI: CHEBI:87649 IUPAC Name: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-]
| PubChem CID | 6727 |
|---|---|
| CAS | 82-94-0 |
| Molecular Weight (g/mol) | 458.471 |
| ChEBI | CHEBI:87649 |
| MDL Number | MFCD00011879 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-] |
| Synonym | Basic Blue 20 |
| IUPAC Name | [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride |
| InChI Key | DWCZIOOZPIDHAB-UHFFFAOYSA-L |
| Molecular Formula | C26H33Cl2N3 |