Organooxygen compounds
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1,8-Dichloroanthraquinone 95.0+%, TCI America™
CAS: 82-43-9 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.1 MDL Number: MFCD00001191 InChI Key: VBQNYYXVDQUKIU-UHFFFAOYSA-N Synonym: 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro PubChem CID: 6708 IUPAC Name: 1,8-dichloroanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl
| PubChem CID | 6708 |
|---|---|
| CAS | 82-43-9 |
| Molecular Weight (g/mol) | 277.1 |
| MDL Number | MFCD00001191 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl |
| Synonym | 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro |
| IUPAC Name | 1,8-dichloroanthracene-9,10-dione |
| InChI Key | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| Molecular Formula | C14H6Cl2O2 |
2-(1H-1,2,4-Triazol-1-yl)-2',4'-difluoroacetophenone 98.0+%, TCI America™
CAS: 86404-63-9 Molecular Formula: C10H7F2N3O Molecular Weight (g/mol): 223.183 MDL Number: MFCD02093825 InChI Key: XCHRPVARHBCFMJ-UHFFFAOYSA-N Synonym: 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethanone,2,4-difluoro-alpha-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1,2,4-triazol-1-yl ethanone,2',4'-difluoro-2-1h-1,2,4-triazol-1-yl acetophenone,unii-hxi8r9r915,2-1h-1,2,4-triazol-1-yl-2',4'-difluoroacetophenone,ethanone, 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl,2',4'-difluoro-2-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethan-1-one,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl-ethanone PubChem CID: 588080 IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone SMILES: C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2
| PubChem CID | 588080 |
|---|---|
| CAS | 86404-63-9 |
| Molecular Weight (g/mol) | 223.183 |
| MDL Number | MFCD02093825 |
| SMILES | C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2 |
| Synonym | 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethanone,2,4-difluoro-alpha-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1,2,4-triazol-1-yl ethanone,2',4'-difluoro-2-1h-1,2,4-triazol-1-yl acetophenone,unii-hxi8r9r915,2-1h-1,2,4-triazol-1-yl-2',4'-difluoroacetophenone,ethanone, 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl,2',4'-difluoro-2-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethan-1-one,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl-ethanone |
| IUPAC Name | 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone |
| InChI Key | XCHRPVARHBCFMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H7F2N3O |
Ethyl 4,4,4-Trifluoroacetoacetate 98.0+%, TCI America™
CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.114 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F
| PubChem CID | 67793 |
|---|---|
| CAS | 372-31-6 |
| Molecular Weight (g/mol) | 184.114 |
| MDL Number | MFCD00000424 |
| SMILES | CCOC(=O)CC(=O)C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester |
| IUPAC Name | ethyl 4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
| Molecular Formula | C6H7F3O3 |
Tridecanophenone 96.0+%, TCI America™
CAS: 6005-99-8 Molecular Formula: C19H30O Molecular Weight (g/mol): 274.45 MDL Number: MFCD00059219 InChI Key: ZZNDQCACFUJAKJ-UHFFFAOYSA-N Synonym: Dodecyl Phenyl Ketone PubChem CID: 577616 IUPAC Name: 1-phenyltridecan-1-one SMILES: CCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 577616 |
|---|---|
| CAS | 6005-99-8 |
| Molecular Weight (g/mol) | 274.45 |
| MDL Number | MFCD00059219 |
| SMILES | CCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Dodecyl Phenyl Ketone |
| IUPAC Name | 1-phenyltridecan-1-one |
| InChI Key | ZZNDQCACFUJAKJ-UHFFFAOYSA-N |
| Molecular Formula | C19H30O |
2,4-Dichlorophenacyl Bromide 98.0+%, TCI America™
CAS: 2631-72-3 Molecular Formula: C8H5BrCl2O Molecular Weight (g/mol): 267.931 MDL Number: MFCD00053005 InChI Key: DASJDMQCPIDJIF-UHFFFAOYSA-N Synonym: 2-bromo-2',4'-dichloroacetophenone,2-bromo-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl bromide,2-bromo-1-2,4-dichlorophenyl ethan-1-one,2-bromo-1-2,4-dichloro-phenyl-ethanone,ethanone, 2-bromo-1-2,4-dichlorophenyl,2'-bromo-2,4-dichloro acetophenone,omega-bromo-2,4-dichloro acetophenone,2',4'-dichlorophenacyl bromide,2-bromo-2,4-dichloroacetophenone PubChem CID: 75828 IUPAC Name: 2-bromo-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CBr
| PubChem CID | 75828 |
|---|---|
| CAS | 2631-72-3 |
| Molecular Weight (g/mol) | 267.931 |
| MDL Number | MFCD00053005 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CBr |
| Synonym | 2-bromo-2',4'-dichloroacetophenone,2-bromo-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl bromide,2-bromo-1-2,4-dichlorophenyl ethan-1-one,2-bromo-1-2,4-dichloro-phenyl-ethanone,ethanone, 2-bromo-1-2,4-dichlorophenyl,2'-bromo-2,4-dichloro acetophenone,omega-bromo-2,4-dichloro acetophenone,2',4'-dichlorophenacyl bromide,2-bromo-2,4-dichloroacetophenone |
| IUPAC Name | 2-bromo-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrCl2O |
tert-Butyl Ethyl Malonate 95.0+%, TCI America™
CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 96345 |
|---|---|
| CAS | 32864-38-3 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009193 |
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate |
| IUPAC Name | 3-O-tert-butyl 1-O-ethyl propanedioate |
| InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
N,N,N',N'-Tetramethylmalonamide 97.0+%, TCI America™
CAS: 7313-22-6 Molecular Formula: C7H14N2O2 Molecular Weight (g/mol): 158.201 MDL Number: MFCD03093641 InChI Key: AOXCXILUIVQCHH-UHFFFAOYSA-N PubChem CID: 10975767 IUPAC Name: N,N,N',N'-tetramethylpropanediamide SMILES: CN(C)C(=O)CC(=O)N(C)C
| PubChem CID | 10975767 |
|---|---|
| CAS | 7313-22-6 |
| Molecular Weight (g/mol) | 158.201 |
| MDL Number | MFCD03093641 |
| SMILES | CN(C)C(=O)CC(=O)N(C)C |
| IUPAC Name | N,N,N',N'-tetramethylpropanediamide |
| InChI Key | AOXCXILUIVQCHH-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O2 |
Melperone 95.0+%, TCI America™
CAS: 3575-80-2 Molecular Formula: C16H23ClFNO Molecular Weight (g/mol): 299.81 MDL Number: MFCD00867737 InChI Key: MQHYXXIJLKFQGY-UHFFFAOYSA-N PubChem CID: 15387 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride SMILES: [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1
| PubChem CID | 15387 |
|---|---|
| CAS | 3575-80-2 |
| Molecular Weight (g/mol) | 299.81 |
| MDL Number | MFCD00867737 |
| SMILES | [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1 |
| IUPAC Name | 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride |
| InChI Key | MQHYXXIJLKFQGY-UHFFFAOYSA-N |
| Molecular Formula | C16H23ClFNO |
2,2,2-Trifluoroacetophenone 98.0+%, TCI America™
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 9905 |
|---|---|
| CAS | 434-45-7 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00000420 |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
| IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
2',4'-Difluoropropiophenone 98.0+%, TCI America™
CAS: 85068-30-0 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 MDL Number: MFCD00015507 InChI Key: UZWOADNMVRRYDE-UHFFFAOYSA-N Synonym: 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r PubChem CID: 123586 IUPAC Name: 1-(2,4-difluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(F)C=C1F
| PubChem CID | 123586 |
|---|---|
| CAS | 85068-30-0 |
| Molecular Weight (g/mol) | 170.16 |
| MDL Number | MFCD00015507 |
| SMILES | CCC(=O)C1=CC=C(F)C=C1F |
| Synonym | 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r |
| IUPAC Name | 1-(2,4-difluorophenyl)propan-1-one |
| InChI Key | UZWOADNMVRRYDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O |
Undecanophenone 98.0+%, TCI America™
CAS: 4433-30-1 Molecular Formula: C17H26O Molecular Weight (g/mol): 246.394 MDL Number: MFCD00051548 InChI Key: LHJBFOGCFZHBAJ-UHFFFAOYSA-N Synonym: undecanophenone,n-undecanophenone,1-phenylundecanone,1-undecanone, 1-phenyl,decyl phenyl ketone,1-phenyl-1-undecanone,1-phenyl-undecan-1-one,1-phenyl-1-undecanone #,acmc-209jx6 PubChem CID: 78167 IUPAC Name: 1-phenylundecan-1-one SMILES: CCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78167 |
|---|---|
| CAS | 4433-30-1 |
| Molecular Weight (g/mol) | 246.394 |
| MDL Number | MFCD00051548 |
| SMILES | CCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | undecanophenone,n-undecanophenone,1-phenylundecanone,1-undecanone, 1-phenyl,decyl phenyl ketone,1-phenyl-1-undecanone,1-phenyl-undecan-1-one,1-phenyl-1-undecanone #,acmc-209jx6 |
| IUPAC Name | 1-phenylundecan-1-one |
| InChI Key | LHJBFOGCFZHBAJ-UHFFFAOYSA-N |
| Molecular Formula | C17H26O |
4'-Methoxyacetophenone 99.0+%, TCI America™
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethan-1-one |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Acetylthiazole 98.0+%, TCI America™
CAS: 24295-03-2 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00005324 InChI Key: MOMFXATYAINJML-UHFFFAOYSA-N Synonym: 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone PubChem CID: 520108 IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone SMILES: CC(=O)C1=NC=CS1
| PubChem CID | 520108 |
|---|---|
| CAS | 24295-03-2 |
| Molecular Weight (g/mol) | 127.161 |
| MDL Number | MFCD00005324 |
| SMILES | CC(=O)C1=NC=CS1 |
| Synonym | 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone |
| IUPAC Name | 1-(1,3-thiazol-2-yl)ethanone |
| InChI Key | MOMFXATYAINJML-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
1,5-Dibromoanthraquinone 93.0+%, TCI America™
CAS: 602-77-7 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.008 InChI Key: SRRLOAAMZYZYQY-UHFFFAOYSA-N PubChem CID: 639109 IUPAC Name: 1,5-dibromoanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br
| PubChem CID | 639109 |
|---|---|
| CAS | 602-77-7 |
| Molecular Weight (g/mol) | 366.008 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br |
| IUPAC Name | 1,5-dibromoanthracene-9,10-dione |
| InChI Key | SRRLOAAMZYZYQY-UHFFFAOYSA-N |
| Molecular Formula | C14H6Br2O2 |
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate 96.0+%, TCI America™
CAS: 21339-47-9 Molecular Formula: C13H24O6 Molecular Weight (g/mol): 276.329 MDL Number: MFCD00671525 InChI Key: VQUXMFKGQFXVBC-UHFFFAOYSA-N Synonym: 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester PubChem CID: 298328 IUPAC Name: diethyl 2-(2,2-diethoxyethyl)propanedioate SMILES: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
| PubChem CID | 298328 |
|---|---|
| CAS | 21339-47-9 |
| Molecular Weight (g/mol) | 276.329 |
| MDL Number | MFCD00671525 |
| SMILES | CCOC(CC(C(=O)OCC)C(=O)OCC)OCC |
| Synonym | 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2,2-diethoxyethyl)propanedioate |
| InChI Key | VQUXMFKGQFXVBC-UHFFFAOYSA-N |
| Molecular Formula | C13H24O6 |