Organooxygen compounds
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Diethylene Glycol Monophenyl Ether 98.0+%, TCI America™
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CAS: 104-68-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00045989 InChI Key: ZUAURMBNZUCEAF-UHFFFAOYSA-N Synonym: 2-(2-Phenoxyethoxy)ethanol, Phenyl Diglycol PubChem CID: 7715 IUPAC Name: 2-(2-phenoxyethoxy)ethan-1-ol SMILES: OCCOCCOC1=CC=CC=C1
| PubChem CID | 7715 |
|---|---|
| CAS | 104-68-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00045989 |
| SMILES | OCCOCCOC1=CC=CC=C1 |
| Synonym | 2-(2-Phenoxyethoxy)ethanol, Phenyl Diglycol |
| IUPAC Name | 2-(2-phenoxyethoxy)ethan-1-ol |
| InChI Key | ZUAURMBNZUCEAF-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
4-Cyclohexylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 2433-14-9 Molecular Formula: C12H22O Molecular Weight (g/mol): 182.31 MDL Number: MFCD00060071,MFCD13185038 InChI Key: AFKMHDZOVNDWLO-UHFFFAOYSA-N PubChem CID: 75518 IUPAC Name: [1,1'-bi(cyclohexane)]-4-ol SMILES: OC1CCC(CC1)C1CCCCC1
| PubChem CID | 75518 |
|---|---|
| CAS | 2433-14-9 |
| Molecular Weight (g/mol) | 182.31 |
| MDL Number | MFCD00060071,MFCD13185038 |
| SMILES | OC1CCC(CC1)C1CCCCC1 |
| IUPAC Name | [1,1'-bi(cyclohexane)]-4-ol |
| InChI Key | AFKMHDZOVNDWLO-UHFFFAOYSA-N |
| Molecular Formula | C12H22O |
6-Benzyloxyindole 98.0+%, TCI America™
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CAS: 15903-94-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 InChI Key: FPMICYBCFBLGOZ-UHFFFAOYSA-N Synonym: 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 PubChem CID: 260804 IUPAC Name: 6-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3
| PubChem CID | 260804 |
|---|---|
| CAS | 15903-94-3 |
| Molecular Weight (g/mol) | 223.275 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3 |
| Synonym | 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 |
| IUPAC Name | 6-phenylmethoxy-1H-indole |
| InChI Key | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
6-Bromoisatin 97.0+%, TCI America™
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CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione PubChem CID: 95716 IUPAC Name: 6-bromo-2,3-dihydro-1H-indole-2,3-dione SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1
| PubChem CID | 95716 |
|---|---|
| CAS | 6326-79-0 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD01631138 |
| SMILES | BrC1=CC=C2C(NC(=O)C2=O)=C1 |
| Synonym | 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione |
| IUPAC Name | 6-bromo-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | HVPQMLZLINVIHW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
2'-Hydroxy-4',5'-dimethylacetophenone 98.0+%, TCI America™
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CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C
| PubChem CID | 118976 |
|---|---|
| CAS | 36436-65-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00002306 |
| SMILES | CC1=C(C=C(C(=C1)C(=O)C)O)C |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| InChI Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4'-Chloro-3'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 129825-11-2 Molecular Formula: C9H6ClF3O Molecular Weight (g/mol): 222.591 MDL Number: MFCD03094146 InChI Key: UYNMUXTXDHJBEN-UHFFFAOYSA-N Synonym: 4'-chloro-3'-trifluoromethyl acetophenone,4-chloro-3-trifluoromethyl acetophenone,1-4-chloro-3-trifluoromethyl phenyl ethanone,1-4-chloro-3-trifluoromethyl phenyl ethan-1-one,3'-trifluoromethyl-4'-chloroacetophenone,5-acetyl-2-chlorobenzotrifluoride,ethanone,1-4-chloro-3-trifluoromethyl phenyl,ethanone, 1-4-chloro-3-trifluoromethyl phenyl,3-trifluoromethyl-4-chloroacetophenone PubChem CID: 2773851 IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F
| PubChem CID | 2773851 |
|---|---|
| CAS | 129825-11-2 |
| Molecular Weight (g/mol) | 222.591 |
| MDL Number | MFCD03094146 |
| SMILES | CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
| Synonym | 4'-chloro-3'-trifluoromethyl acetophenone,4-chloro-3-trifluoromethyl acetophenone,1-4-chloro-3-trifluoromethyl phenyl ethanone,1-4-chloro-3-trifluoromethyl phenyl ethan-1-one,3'-trifluoromethyl-4'-chloroacetophenone,5-acetyl-2-chlorobenzotrifluoride,ethanone,1-4-chloro-3-trifluoromethyl phenyl,ethanone, 1-4-chloro-3-trifluoromethyl phenyl,3-trifluoromethyl-4-chloroacetophenone |
| IUPAC Name | 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | UYNMUXTXDHJBEN-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClF3O |
4-Benzoylpyridine 99.0+%, TCI America™
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CAS: 14548-46-0 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006430 InChI Key: SKFLCXNDKRUHTA-UHFFFAOYSA-N Synonym: 4-benzoylpyridine,phenyl pyridin-4-yl methanone,phenyl 4-pyridyl ketone,methanone, phenyl-4-pyridinyl,phenyl 4-pyridinyl methanone,4-pyridyl phenyl ketone,pyridine, 4-benzoyl,ketone, phenyl 4-pyridyl,gamma-benzoylpyridine,4-benzoyl pyridine PubChem CID: 26731 IUPAC Name: phenyl(pyridin-4-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=NC=C2
| PubChem CID | 26731 |
|---|---|
| CAS | 14548-46-0 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006430 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=NC=C2 |
| Synonym | 4-benzoylpyridine,phenyl pyridin-4-yl methanone,phenyl 4-pyridyl ketone,methanone, phenyl-4-pyridinyl,phenyl 4-pyridinyl methanone,4-pyridyl phenyl ketone,pyridine, 4-benzoyl,ketone, phenyl 4-pyridyl,gamma-benzoylpyridine,4-benzoyl pyridine |
| IUPAC Name | phenyl(pyridin-4-yl)methanone |
| InChI Key | SKFLCXNDKRUHTA-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
3-Acetylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 163.967 |
|---|---|
| ChEBI | CHEBI:86552 |
| Color | Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CC=C1)C(=O)C)(O)O |
| InChI Key | SJGGDZCTGBKBCK-UHFFFAOYSA-N |
| PubChem CID | 2734310 |
| CAS | 204841-19-0 |
| MDL Number | MFCD01074678 |
| TSCA | No |
| IUPAC Name | (3-acetylphenyl)boronic acid |
| Molecular Formula | C8H9BO3 |
| Formula Weight | 163.97 |
| Melting Point | 208°C |
Diethyl Chlorooxalacetate 93.0+%, TCI America™
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CAS: 34034-87-2 Molecular Formula: C8H11ClO5 Molecular Weight (g/mol): 222.62 MDL Number: MFCD04114359 InChI Key: JNQWFLVFHCCWPV-UHFFFAOYNA-N Synonym: Chlorooxalacetic Acid Diethyl Ester PubChem CID: 10998635 IUPAC Name: 1,4-diethyl 2-chloro-3-oxobutanedioate SMILES: CCOC(=O)C(Cl)C(=O)C(=O)OCC
| PubChem CID | 10998635 |
|---|---|
| CAS | 34034-87-2 |
| Molecular Weight (g/mol) | 222.62 |
| MDL Number | MFCD04114359 |
| SMILES | CCOC(=O)C(Cl)C(=O)C(=O)OCC |
| Synonym | Chlorooxalacetic Acid Diethyl Ester |
| IUPAC Name | 1,4-diethyl 2-chloro-3-oxobutanedioate |
| InChI Key | JNQWFLVFHCCWPV-UHFFFAOYNA-N |
| Molecular Formula | C8H11ClO5 |
2'-Fluoro-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C(C)=O)C(F)=C1
| PubChem CID | 592821 |
|---|---|
| CAS | 74457-86-6 |
| Molecular Weight (g/mol) | 168.17 |
| MDL Number | MFCD00042290 |
| SMILES | COC1=CC=C(C(C)=O)C(F)=C1 |
| Synonym | 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 |
| IUPAC Name | 1-(2-fluoro-4-methoxyphenyl)ethan-1-one |
| InChI Key | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
3-Acetyl-2,5-dichlorothiophene 98.0+%, TCI America™
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CAS: 36157-40-1 Molecular Formula: C6H4Cl2OS Molecular Weight (g/mol): 195.057 MDL Number: MFCD00014522 InChI Key: GYFDNIRENHZKGR-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 PubChem CID: 118920 IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)ethanone SMILES: CC(=O)C1=C(SC(=C1)Cl)Cl
| PubChem CID | 118920 |
|---|---|
| CAS | 36157-40-1 |
| Molecular Weight (g/mol) | 195.057 |
| MDL Number | MFCD00014522 |
| SMILES | CC(=O)C1=C(SC(=C1)Cl)Cl |
| Synonym | 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 |
| IUPAC Name | 1-(2,5-dichlorothiophen-3-yl)ethanone |
| InChI Key | GYFDNIRENHZKGR-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2OS |
1,3-Di(2-pyridyl)-1,3-propanedione 98.0+%, TCI America™
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CAS: 10198-89-7 Molecular Formula: C13H10N2O2 Molecular Weight (g/mol): 226.235 MDL Number: MFCD01321157 InChI Key: DCGUVLMWGIPVDP-UHFFFAOYSA-N Synonym: Dipicolinoylmethane PubChem CID: 2728494 IUPAC Name: 1,3-dipyridin-2-ylpropane-1,3-dione SMILES: C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2
| PubChem CID | 2728494 |
|---|---|
| CAS | 10198-89-7 |
| Molecular Weight (g/mol) | 226.235 |
| MDL Number | MFCD01321157 |
| SMILES | C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2 |
| Synonym | Dipicolinoylmethane |
| IUPAC Name | 1,3-dipyridin-2-ylpropane-1,3-dione |
| InChI Key | DCGUVLMWGIPVDP-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O2 |
Ethyl 3-Oxo-3-(4-chlorophenyl)propionate 98.0+%, TCI America™
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CAS: 2881-63-2 Molecular Formula: C11H11ClO3 Molecular Weight (g/mol): 226.656 MDL Number: MFCD00018713 InChI Key: DGCZHKABHPDNCC-UHFFFAOYSA-N Synonym: 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester PubChem CID: 101336 IUPAC Name: ethyl 3-(4-chlorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 101336 |
|---|---|
| CAS | 2881-63-2 |
| Molecular Weight (g/mol) | 226.656 |
| MDL Number | MFCD00018713 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| Synonym | 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-chlorophenyl)-3-oxopropanoate |
| InChI Key | DGCZHKABHPDNCC-UHFFFAOYSA-N |
| Molecular Formula | C11H11ClO3 |
Cyclopentyl Phenyl Ketone 98.0+%, TCI America™
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CAS: 5422-88-8 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.24 MDL Number: MFCD00001378 InChI Key: VYDIMQRLNMMJBW-UHFFFAOYSA-N Synonym: cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone PubChem CID: 79464 IUPAC Name: cyclopentyl(phenyl)methanone SMILES: O=C(C1CCCC1)C1=CC=CC=C1
| PubChem CID | 79464 |
|---|---|
| CAS | 5422-88-8 |
| Molecular Weight (g/mol) | 174.24 |
| MDL Number | MFCD00001378 |
| SMILES | O=C(C1CCCC1)C1=CC=CC=C1 |
| Synonym | cyclopentyl phenyl ketone,cyclopentyl phenyl methanone,benzoylcyclopentane,methanone, cyclopentylphenyl,ketone, cyclopentyl phenyl,cyclopentyl-phenyl-methanone,cyclopentylphenylketone,acmc-209leg,phenyl cyclopentyl ketone,cyclopentanylphenylmethanone |
| IUPAC Name | cyclopentyl(phenyl)methanone |
| InChI Key | VYDIMQRLNMMJBW-UHFFFAOYSA-N |
| Molecular Formula | C12H14O |
3'-Bromopropiophenone 98.0+%, TCI America™
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CAS: 19829-31-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000084 InChI Key: QSHLXVTVXQTHBS-UHFFFAOYSA-N Synonym: 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u PubChem CID: 88272 IUPAC Name: 1-(3-bromophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 88272 |
|---|---|
| CAS | 19829-31-3 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD00000084 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Br |
| Synonym | 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u |
| IUPAC Name | 1-(3-bromophenyl)propan-1-one |
| InChI Key | QSHLXVTVXQTHBS-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |