Carbonyl compounds
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4-Acetylbenzoic acid, 98+%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3',5'-Dichloro-2'-hydroxyacetophenone, 99%
CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl
| PubChem CID | 520608 |
|---|---|
| CAS | 3321-92-4 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00016417 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Cl)Cl |
| Synonym | 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol |
| IUPAC Name | 1-(3,5-dichloro-2-hydroxyphenyl)ethanone |
| InChI Key | CJFYGRLJDKWMDI-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
1,3-Dibromo-2-propanone, 70%, tech.
CAS: 816-39-7 Molecular Formula: C3H4Br2O Molecular Weight (g/mol): 215.87 MDL Number: MFCD00013540 InChI Key: LQQKDSXCDXHLLF-UHFFFAOYSA-N Synonym: 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo PubChem CID: 69952 IUPAC Name: 1,3-dibromopropan-2-one SMILES: C(C(=O)CBr)Br
| PubChem CID | 69952 |
|---|---|
| CAS | 816-39-7 |
| Molecular Weight (g/mol) | 215.87 |
| MDL Number | MFCD00013540 |
| SMILES | C(C(=O)CBr)Br |
| Synonym | 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo |
| IUPAC Name | 1,3-dibromopropan-2-one |
| InChI Key | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
| Molecular Formula | C3H4Br2O |
Thermo Scientific Chemicals D-Sorbose, 98%
CAS: 3615-56-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00151095 InChI Key: LKDRXBCSQODPBY-IANNHFEVSA-N Synonym: d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose PubChem CID: 107428 ChEBI: CHEBI:13022 SMILES: OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
| PubChem CID | 107428 |
|---|---|
| CAS | 3615-56-3 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:13022 |
| MDL Number | MFCD00151095 |
| SMILES | OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O |
| Synonym | d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose |
| InChI Key | LKDRXBCSQODPBY-IANNHFEVSA-N |
| Molecular Formula | C6H12O6 |
2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone, ≥97%, Thermo Scientific™
CAS: 128746-80-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD06659059 InChI Key: QFHKNYPNLSJEQI-UHFFFAOYSA-N PubChem CID: 2795250 IUPAC Name: 2-bromo-1-(4-thiophen-2-ylphenyl)ethanone SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 2795250 |
|---|---|
| CAS | 128746-80-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD06659059 |
| SMILES | C1=CSC(=C1)C2=CC=C(C=C2)C(=O)CBr |
| IUPAC Name | 2-bromo-1-(4-thiophen-2-ylphenyl)ethanone |
| InChI Key | QFHKNYPNLSJEQI-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
4-Benzoylbutyric acid, 97%
CAS: 1501-05-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00004411 InChI Key: SHKWSBAVRQZYLE-UHFFFAOYSA-N Synonym: 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid PubChem CID: 73914 IUPAC Name: 5-oxo-5-phenylpentanoic acid SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)O
| PubChem CID | 73914 |
|---|---|
| CAS | 1501-05-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00004411 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| Synonym | 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid |
| IUPAC Name | 5-oxo-5-phenylpentanoic acid |
| InChI Key | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
2-Bromo-3'-methoxyacetophenone, 98%
CAS: 5000-65-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr
| PubChem CID | 101294 |
|---|---|
| CAS | 5000-65-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000199 |
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide |
| IUPAC Name | 2-bromo-1-(3-methoxyphenyl)ethanone |
| InChI Key | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4'-Methoxypropiophenone, 99%
CAS: 121-97-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 67144 |
|---|---|
| CAS | 121-97-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009310 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OC |
| IUPAC Name | 1-(4-methoxyphenyl)propan-1-one |
| InChI Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Bromopyruvic acid, 97%
CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br
| PubChem CID | 70684 |
|---|---|
| CAS | 1113-59-3 |
| Molecular Weight (g/mol) | 166.958 |
| MDL Number | MFCD00002587 |
| SMILES | C(C(=O)C(=O)O)Br |
| Synonym | 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid |
| IUPAC Name | 3-bromo-2-oxopropanoic acid |
| InChI Key | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO3 |
4-Chlorobutyrophenone, 95%, Thermo Scientific™
CAS: 939-52-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00001005 InChI Key: GHEFQKHLHFXSBR-UHFFFAOYSA-N Synonym: 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone PubChem CID: 253533 IUPAC Name: 4-chloro-1-phenylbutan-1-one SMILES: ClCCCC(=O)C1=CC=CC=C1
| PubChem CID | 253533 |
|---|---|
| CAS | 939-52-6 |
| Molecular Weight (g/mol) | 182.65 |
| MDL Number | MFCD00001005 |
| SMILES | ClCCCC(=O)C1=CC=CC=C1 |
| Synonym | 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone |
| IUPAC Name | 4-chloro-1-phenylbutan-1-one |
| InChI Key | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO |
4'-Ethynylacetophenone, 98%
CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C
| PubChem CID | 5123626 |
|---|---|
| CAS | 42472-69-5 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD04974025 |
| SMILES | CC(=O)C1=CC=C(C=C1)C#C |
| IUPAC Name | 1-(4-ethynylphenyl)ethanone |
| InChI Key | WHFPFLKZXFBCSO-UHFFFAOYSA-N |
| Molecular Formula | C10H8O |
5-Acetylsalicylic acid, 98+%
CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 83151 |
|---|---|
| CAS | 13110-96-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013978 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
| InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
4-Acetyl-N-methylaniline, 97%
CAS: 17687-47-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD09261160 InChI Key: GDBAYICEBDZUNM-UHFFFAOYSA-N Synonym: 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone PubChem CID: 11607936 IUPAC Name: 1-[4-(methylamino)phenyl]ethanone SMILES: CNC1=CC=C(C=C1)C(C)=O
| PubChem CID | 11607936 |
|---|---|
| CAS | 17687-47-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD09261160 |
| SMILES | CNC1=CC=C(C=C1)C(C)=O |
| Synonym | 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone |
| IUPAC Name | 1-[4-(methylamino)phenyl]ethanone |
| InChI Key | GDBAYICEBDZUNM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Fluoroacetone, 97%
CAS: 430-51-3 Molecular Formula: C3H5FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF
| PubChem CID | 9889 |
|---|---|
| CAS | 430-51-3 |
| Molecular Weight (g/mol) | 76.06 |
| MDL Number | MFCD00000451 |
| SMILES | CC(=O)CF |
| Synonym | fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 |
| IUPAC Name | 1-fluoropropan-2-one |
| InChI Key | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| Molecular Formula | C3H5FO |
Acetovanillone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |