Organooxygen compounds
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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 |
1,3-Diphenyl-2,3-epoxy-1-propanone 98.0+%, TCI America™
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CAS: 5411-12-1 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00022336 InChI Key: UQGMJZQVDNZRKT-UHFFFAOYNA-N Synonym: 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone PubChem CID: 92219 IUPAC Name: phenyl-(3-phenyloxiran-2-yl)methanone SMILES: C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
| PubChem CID | 92219 |
|---|---|
| CAS | 5411-12-1 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00022336 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
| Synonym | 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone |
| IUPAC Name | phenyl-(3-phenyloxiran-2-yl)methanone |
| InChI Key | UQGMJZQVDNZRKT-UHFFFAOYNA-N |
| Molecular Formula | C15H12O2 |
Diethyl Phenylmalonate 97.0+%, TCI America™
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CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 66514 |
|---|---|
| CAS | 83-13-6 |
| Molecular Weight (g/mol) | 236.267 |
| MDL Number | MFCD00009144 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate |
| IUPAC Name | diethyl 2-phenylpropanedioate |
| InChI Key | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
| Molecular Formula | C13H16O4 |
Polyethylene Glycol Monooleyl Ether (n=approx. 7), TCI America™
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CAS: 9004-98-2 Molecular Formula: C58H116O21 Molecular Weight (g/mol): 1149.55 MDL Number: MFCD00074369 InChI Key: TVSFHLHLHUYZNN-KTKRTIGZSA-N Synonym: emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o PubChem CID: 5364713 IUPAC Name: (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 5364713 |
|---|---|
| CAS | 9004-98-2 |
| Molecular Weight (g/mol) | 1149.55 |
| MDL Number | MFCD00074369 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonym | emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o |
| IUPAC Name | (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol |
| InChI Key | TVSFHLHLHUYZNN-KTKRTIGZSA-N |
| Molecular Formula | C58H116O21 |
2-Propionylthiophene 98.0+%, TCI America™
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CAS: 13679-75-9 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 MDL Number: MFCD00005446 InChI Key: MFPZQZZWAMAHOY-UHFFFAOYSA-N Synonym: 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone PubChem CID: 26179 IUPAC Name: 1-thiophen-2-ylpropan-1-one SMILES: CCC(=O)C1=CC=CS1
| PubChem CID | 26179 |
|---|---|
| CAS | 13679-75-9 |
| Molecular Weight (g/mol) | 140.2 |
| MDL Number | MFCD00005446 |
| SMILES | CCC(=O)C1=CC=CS1 |
| Synonym | 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone |
| IUPAC Name | 1-thiophen-2-ylpropan-1-one |
| InChI Key | MFPZQZZWAMAHOY-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
1,3-Dichloro-2-propanone 98.0+%, TCI America™
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CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl
| PubChem CID | 10793 |
|---|---|
| CAS | 534-07-6 |
| Molecular Weight (g/mol) | 126.96 |
| MDL Number | MFCD00000937 |
| SMILES | ClCC(=O)CCl |
| Synonym | 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone |
| IUPAC Name | 1,3-dichloropropan-2-one |
| InChI Key | SUNMBRGCANLOEG-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O |
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-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 |
cis-4-tert-Butylcyclohexanol 98.0+%, TCI America™
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CAS: 937-05-3 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00070476 InChI Key: CCOQPGVQAWPUPE-UHFFFAOYSA-N PubChem CID: 7391 IUPAC Name: 4-tert-butylcyclohexan-1-ol SMILES: CC(C)(C)C1CCC(CC1)O
| PubChem CID | 7391 |
|---|---|
| CAS | 937-05-3 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD00070476 |
| SMILES | CC(C)(C)C1CCC(CC1)O |
| IUPAC Name | 4-tert-butylcyclohexan-1-ol |
| InChI Key | CCOQPGVQAWPUPE-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
Valeraldehyde 95.0+%, TCI America™
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CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
1,4,5,8-Tetrachloroanthraquinone 95.0+%, TCI America™
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CAS: 81-58-3 Molecular Formula: C14H4Cl4O2 Molecular Weight (g/mol): 345.98 MDL Number: MFCD00035801 InChI Key: DUJPMUKIEFLXRE-UHFFFAOYSA-N PubChem CID: 66484 IUPAC Name: 1,4,5,8-tetrachloro-9,10-dihydroanthracene-9,10-dione SMILES: ClC1=CC=C(Cl)C2=C1C(=O)C1=C(Cl)C=CC(Cl)=C1C2=O
| PubChem CID | 66484 |
|---|---|
| CAS | 81-58-3 |
| Molecular Weight (g/mol) | 345.98 |
| MDL Number | MFCD00035801 |
| SMILES | ClC1=CC=C(Cl)C2=C1C(=O)C1=C(Cl)C=CC(Cl)=C1C2=O |
| IUPAC Name | 1,4,5,8-tetrachloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | DUJPMUKIEFLXRE-UHFFFAOYSA-N |
| Molecular Formula | C14H4Cl4O2 |
4'-Fluoro-3'-nitroacetophenone 98.0+%, TCI America™
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CAS: 400-93-1 Molecular Formula: C8H6FNO3 Molecular Weight (g/mol): 183.138 MDL Number: MFCD00115369 InChI Key: PTCNZDJJIOLIKQ-UHFFFAOYSA-N Synonym: 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone PubChem CID: 2734612 IUPAC Name: 1-(4-fluoro-3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 2734612 |
|---|---|
| CAS | 400-93-1 |
| Molecular Weight (g/mol) | 183.138 |
| MDL Number | MFCD00115369 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone |
| IUPAC Name | 1-(4-fluoro-3-nitrophenyl)ethanone |
| InChI Key | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO3 |
(1R,2R)-2-Aminocyclopentanol Hydrochloride 98.0+%, TCI America™
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CAS: 68327-11-7 Molecular Formula: C5H12ClNO Molecular Weight (g/mol): 137.607 MDL Number: MFCD09834692 InChI Key: ZFSXKSSWYSZPGQ-TYSVMGFPSA-N Synonym: (1R,2R)-2-Amino-1-hydroxycyclopentane Hydrochloride PubChem CID: 12886906 IUPAC Name: (1R,2R)-2-aminocyclopentan-1-ol;hydrochloride SMILES: C1CC(C(C1)O)N.Cl
| PubChem CID | 12886906 |
|---|---|
| CAS | 68327-11-7 |
| Molecular Weight (g/mol) | 137.607 |
| MDL Number | MFCD09834692 |
| SMILES | C1CC(C(C1)O)N.Cl |
| Synonym | (1R,2R)-2-Amino-1-hydroxycyclopentane Hydrochloride |
| IUPAC Name | (1R,2R)-2-aminocyclopentan-1-ol;hydrochloride |
| InChI Key | ZFSXKSSWYSZPGQ-TYSVMGFPSA-N |
| Molecular Formula | C5H12ClNO |
Diethyl Isopropylmalonate 98.0+%, TCI America™
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CAS: 759-36-4 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00040491 InChI Key: BYQFBFWERHXONI-UHFFFAOYSA-N Synonym: diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester PubChem CID: 12966 IUPAC Name: 1,3-diethyl 2-(propan-2-yl)propanedioate SMILES: CCOC(=O)C(C(C)C)C(=O)OCC
| PubChem CID | 12966 |
|---|---|
| CAS | 759-36-4 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00040491 |
| SMILES | CCOC(=O)C(C(C)C)C(=O)OCC |
| Synonym | diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester |
| IUPAC Name | 1,3-diethyl 2-(propan-2-yl)propanedioate |
| InChI Key | BYQFBFWERHXONI-UHFFFAOYSA-N |
| Molecular Formula | C10H18O4 |
Tetramethylene Glycol Monovinyl Ether (stabilized with KOH) 97.0+%, TCI America™
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CAS: 17832-28-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00080697 InChI Key: HMBNQNDUEFFFNZ-UHFFFAOYSA-N Synonym: 4-vinyloxy butan-1-ol,1-butanol, 4-ethenyloxy,4-hydroxybutyl vinyl ether,hydroxybutyl vinyl ether,unii-8lgm5rzx0n,4-vinyloxybutanol,4-ethenyloxy butan-1-ol,8lgm5rzx0n,1,4-butanediol monovinyl ether,hbuve PubChem CID: 87329 IUPAC Name: 4-(ethenyloxy)butan-1-ol SMILES: OCCCCOC=C
| PubChem CID | 87329 |
|---|---|
| CAS | 17832-28-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00080697 |
| SMILES | OCCCCOC=C |
| Synonym | 4-vinyloxy butan-1-ol,1-butanol, 4-ethenyloxy,4-hydroxybutyl vinyl ether,hydroxybutyl vinyl ether,unii-8lgm5rzx0n,4-vinyloxybutanol,4-ethenyloxy butan-1-ol,8lgm5rzx0n,1,4-butanediol monovinyl ether,hbuve |
| IUPAC Name | 4-(ethenyloxy)butan-1-ol |
| InChI Key | HMBNQNDUEFFFNZ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |