Organooxygen compounds
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2-Chloro-4'-phenylacetophenone 99.0+%, TCI America™
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CAS: 635-84-7 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00058937 InChI Key: IQEIGQFNDLINOT-UHFFFAOYSA-N Synonym: 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride PubChem CID: 69463 IUPAC Name: 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one SMILES: ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69463 |
|---|---|
| CAS | 635-84-7 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00058937 |
| SMILES | ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride |
| IUPAC Name | 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one |
| InChI Key | IQEIGQFNDLINOT-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
3',5'-Dimethylacetophenone 97.0+%, TCI America™
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CAS: 5379-16-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD01075693 InChI Key: BKIHFZLJJUNKMZ-UHFFFAOYSA-N Synonym: 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone PubChem CID: 14921 IUPAC Name: 1-(3,5-dimethylphenyl)ethanone SMILES: CC1=CC(=CC(=C1)C(=O)C)C
| PubChem CID | 14921 |
|---|---|
| CAS | 5379-16-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD01075693 |
| SMILES | CC1=CC(=CC(=C1)C(=O)C)C |
| Synonym | 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone |
| IUPAC Name | 1-(3,5-dimethylphenyl)ethanone |
| InChI Key | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
2,2,2-Trifluoro-3'-nitroacetophenone 98.0+%, TCI America™
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CAS: 657-15-8 Molecular Formula: C8H4F3NO3 Molecular Weight (g/mol): 219.119 MDL Number: MFCD00034541 InChI Key: QADCNGZPRUSTJL-UHFFFAOYSA-N PubChem CID: 69566 IUPAC Name: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F
| PubChem CID | 69566 |
|---|---|
| CAS | 657-15-8 |
| Molecular Weight (g/mol) | 219.119 |
| MDL Number | MFCD00034541 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone |
| InChI Key | QADCNGZPRUSTJL-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO3 |
Ethyl (2-Fluorobenzoyl)acetate 98.0+%, TCI America™
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CAS: 1479-24-9 Molecular Formula: C11H11FO3 Molecular Weight (g/mol): 210.204 MDL Number: MFCD00000321 InChI Key: YMUNUVJSNWUWDA-UHFFFAOYSA-N Synonym: ethyl 3-2-fluorophenyl-3-oxopropanoate,ethyl 2-fluorobenzoyl acetate,ethyl 3-2-fluorophenyl-3-oxo-propionate,3-2-fluoro-phenyl-3-oxo-propionic acid ethyl ester,ethyl 3-2-fluorophenyl-3-oxopropionate,3-2-fluorophenyl-3-oxopropionic acid ethyl ester,benzenepropanoic acid, 2-fluoro-beta-oxo-, ethyl ester,acmc-1c1es,ethyl 2-fluorobenzoylacetate,ethyl-2-fluorobenzoylacetate PubChem CID: 296342 IUPAC Name: ethyl 3-(2-fluorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1F
| PubChem CID | 296342 |
|---|---|
| CAS | 1479-24-9 |
| Molecular Weight (g/mol) | 210.204 |
| MDL Number | MFCD00000321 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1F |
| Synonym | ethyl 3-2-fluorophenyl-3-oxopropanoate,ethyl 2-fluorobenzoyl acetate,ethyl 3-2-fluorophenyl-3-oxo-propionate,3-2-fluoro-phenyl-3-oxo-propionic acid ethyl ester,ethyl 3-2-fluorophenyl-3-oxopropionate,3-2-fluorophenyl-3-oxopropionic acid ethyl ester,benzenepropanoic acid, 2-fluoro-beta-oxo-, ethyl ester,acmc-1c1es,ethyl 2-fluorobenzoylacetate,ethyl-2-fluorobenzoylacetate |
| IUPAC Name | ethyl 3-(2-fluorophenyl)-3-oxopropanoate |
| InChI Key | YMUNUVJSNWUWDA-UHFFFAOYSA-N |
| Molecular Formula | C11H11FO3 |
Diisopropyl Malonate 99.0+%, TCI America™
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CAS: 13195-64-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00059359 InChI Key: QRVSDVDFJFKYKA-UHFFFAOYSA-N Synonym: Malonic Acid Diisopropyl Ester PubChem CID: 83223 IUPAC Name: dipropan-2-yl propanedioate SMILES: CC(C)OC(=O)CC(=O)OC(C)C
| PubChem CID | 83223 |
|---|---|
| CAS | 13195-64-7 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00059359 |
| SMILES | CC(C)OC(=O)CC(=O)OC(C)C |
| Synonym | Malonic Acid Diisopropyl Ester |
| IUPAC Name | dipropan-2-yl propanedioate |
| InChI Key | QRVSDVDFJFKYKA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
2-Adamantanol 98.0+%, TCI America™
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CAS: 700-57-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074744 InChI Key: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonym: 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 PubChem CID: 64149 IUPAC Name: adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O
| PubChem CID | 64149 |
|---|---|
| CAS | 700-57-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074744 |
| SMILES | C1C2CC3CC1CC(C2)C3O |
| Synonym | 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 |
| IUPAC Name | adamantan-2-ol |
| InChI Key | FOWDOWQYRZXQDP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
9-Phenylxanthen-9-ol, TCI America™
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CAS: 596-38-3 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00005058 InChI Key: CVZUPKFPOSRRSK-UHFFFAOYSA-N Synonym: 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # PubChem CID: 68997 IUPAC Name: 9-phenylxanthen-9-ol SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
| PubChem CID | 68997 |
|---|---|
| CAS | 596-38-3 |
| Molecular Weight (g/mol) | 274.319 |
| MDL Number | MFCD00005058 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O |
| Synonym | 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # |
| IUPAC Name | 9-phenylxanthen-9-ol |
| InChI Key | CVZUPKFPOSRRSK-UHFFFAOYSA-N |
| Molecular Formula | C19H14O2 |
trans-1,2-Cyclohexanedimethanol 98.0+%, TCI America™
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2-Benzyl-1,3-dioxolane 98.0+%, TCI America™
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CAS: 101-49-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00003215 InChI Key: SSZACLYPEFCREM-UHFFFAOYSA-N Synonym: 2-benzyldioxolan,1,3-dioxolane, 2-phenylmethyl,phenylacetaldehyde glycol acetal,phenylacetaldehyde ethylene acetal,1,3-dioxolane, 2-benzyl,phenylacetaldehyde ethyleneglycol acetal,phenylacetaldehyde ethylene glycol acetal,1,3-dioxolane,2-phenylmethyl,benzyldioxolan,1, 2-benzyl PubChem CID: 7562 IUPAC Name: 2-benzyl-1,3-dioxolane SMILES: C1COC(O1)CC2=CC=CC=C2
| PubChem CID | 7562 |
|---|---|
| CAS | 101-49-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00003215 |
| SMILES | C1COC(O1)CC2=CC=CC=C2 |
| Synonym | 2-benzyldioxolan,1,3-dioxolane, 2-phenylmethyl,phenylacetaldehyde glycol acetal,phenylacetaldehyde ethylene acetal,1,3-dioxolane, 2-benzyl,phenylacetaldehyde ethyleneglycol acetal,phenylacetaldehyde ethylene glycol acetal,1,3-dioxolane,2-phenylmethyl,benzyldioxolan,1, 2-benzyl |
| IUPAC Name | 2-benzyl-1,3-dioxolane |
| InChI Key | SSZACLYPEFCREM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2',4'-Dichloro-5'-fluoroacetophenone 98.0+%, TCI America™
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CAS: 704-10-9 Molecular Formula: C8H5Cl2FO Molecular Weight (g/mol): 207.03 MDL Number: MFCD00077499 InChI Key: FAKJFAMIABOKBW-UHFFFAOYSA-N Synonym: 2',4'-dichloro-5'-fluoroacetophenone,1-2,4-dichloro-5-fluorophenyl ethanone,2,4-dichloro-5-fluoroacetophenone,1-2,4-dichloro-5-fluorophenyl ethan-1-one,dcfa,acetophenone, 2',4'-dichloro-5'-fluoro,6-acetyl-1,3-dichloro-4-fluorobenzene,1-2,4-dichloro-5-fluoro-phenyl ethanone,ethanone, 1-2,4-dichloro-5-fluorophenyl,1-acetyl-2,4-dichloro-5-fluorobenzene PubChem CID: 727250 IUPAC Name: 1-(2,4-dichloro-5-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC(F)=C(Cl)C=C1Cl
| PubChem CID | 727250 |
|---|---|
| CAS | 704-10-9 |
| Molecular Weight (g/mol) | 207.03 |
| MDL Number | MFCD00077499 |
| SMILES | CC(=O)C1=CC(F)=C(Cl)C=C1Cl |
| Synonym | 2',4'-dichloro-5'-fluoroacetophenone,1-2,4-dichloro-5-fluorophenyl ethanone,2,4-dichloro-5-fluoroacetophenone,1-2,4-dichloro-5-fluorophenyl ethan-1-one,dcfa,acetophenone, 2',4'-dichloro-5'-fluoro,6-acetyl-1,3-dichloro-4-fluorobenzene,1-2,4-dichloro-5-fluoro-phenyl ethanone,ethanone, 1-2,4-dichloro-5-fluorophenyl,1-acetyl-2,4-dichloro-5-fluorobenzene |
| IUPAC Name | 1-(2,4-dichloro-5-fluorophenyl)ethan-1-one |
| InChI Key | FAKJFAMIABOKBW-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2FO |
2-Bromo-4'-nitroacetophenone 98.0+%, TCI America™
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CAS: 99-81-0 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00007356 InChI Key: MBUPVGIGAMCMBT-UHFFFAOYSA-N Synonym: 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone PubChem CID: 66840 IUPAC Name: 2-bromo-1-(4-nitrophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-]
| PubChem CID | 66840 |
|---|---|
| CAS | 99-81-0 |
| Molecular Weight (g/mol) | 244.044 |
| MDL Number | MFCD00007356 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] |
| Synonym | 2-bromo-4'-nitroacetophenone,2-bromo-1-4-nitrophenyl ethanone,4-nitrophenacyl bromide,p-nitrophenacyl bromide,2-bromo-1-4-nitrophenyl ethan-1-one,alpha-bromo-p-nitroacetophenone,ethanone, 2-bromo-1-4-nitrophenyl,4'-nitrophenacyl bromide,alpha-bromo-4-nitroacetophenone,2-bromo-4-nitroacetophenone |
| IUPAC Name | 2-bromo-1-(4-nitrophenyl)ethanone |
| InChI Key | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
4,5-Bis(hydroxymethyl)imidazole 98.0+%, TCI America™
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CAS: 33457-48-6 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00191661 InChI Key: AGJXDKGTTMVHOU-UHFFFAOYSA-N Synonym: 1H-Imidazole-4,5-dimethanol PubChem CID: 573629 IUPAC Name: [5-(hydroxymethyl)-1H-imidazol-4-yl]methanol SMILES: OCC1=C(CO)N=CN1
| PubChem CID | 573629 |
|---|---|
| CAS | 33457-48-6 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00191661 |
| SMILES | OCC1=C(CO)N=CN1 |
| Synonym | 1H-Imidazole-4,5-dimethanol |
| IUPAC Name | [5-(hydroxymethyl)-1H-imidazol-4-yl]methanol |
| InChI Key | AGJXDKGTTMVHOU-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
Bis(2-butoxyethyl) Adipate 97.0+%, TCI America™
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CAS: 141-18-4 Molecular Formula: C18H34O6 Molecular Weight (g/mol): 346.46 MDL Number: MFCD00053796 InChI Key: IHTSDBYPAZEUOP-UHFFFAOYSA-N Synonym: Adipic Acid Bis(2-butoxyethyl) Ester, Adipic Acid Di(2-butoxyethyl) Ester, Di(2-butoxyethyl) Adipate PubChem CID: 8837 IUPAC Name: 1,6-bis(2-butoxyethyl) hexanedioate SMILES: CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
| PubChem CID | 8837 |
|---|---|
| CAS | 141-18-4 |
| Molecular Weight (g/mol) | 346.46 |
| MDL Number | MFCD00053796 |
| SMILES | CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC |
| Synonym | Adipic Acid Bis(2-butoxyethyl) Ester, Adipic Acid Di(2-butoxyethyl) Ester, Di(2-butoxyethyl) Adipate |
| IUPAC Name | 1,6-bis(2-butoxyethyl) hexanedioate |
| InChI Key | IHTSDBYPAZEUOP-UHFFFAOYSA-N |
| Molecular Formula | C18H34O6 |
2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
Pinacol 98.0+%, TCI America™
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CAS: 76-09-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004462 InChI Key: IVDFJHOHABJVEH-UHFFFAOYSA-N Synonym: pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane PubChem CID: 6425 IUPAC Name: 2,3-dimethylbutane-2,3-diol SMILES: CC(C)(C(C)(C)O)O
| PubChem CID | 6425 |
|---|---|
| CAS | 76-09-5 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00004462 |
| SMILES | CC(C)(C(C)(C)O)O |
| Synonym | pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane |
| IUPAC Name | 2,3-dimethylbutane-2,3-diol |
| InChI Key | IVDFJHOHABJVEH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |