Carbonyl compounds
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1,4-Diaminoanthraquinone 97.0+%, TCI America™
CAS: 128-95-0 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.25 MDL Number: MFCD00001224 InChI Key: FBMQNRKSAWNXBT-UHFFFAOYSA-N Synonym: 1,4-diaminoanthraquinone,disperse violet 1,krisolamine,9,10-anthracenedione, 1,4-diamino,grasol violet r,seacyl violet r,acetate red violet r,1,4-diamino anthraquinone,setacyl violet r,oil violet r PubChem CID: 31420 IUPAC Name: 1,4-diamino-9,10-dihydroanthracene-9,10-dione SMILES: NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 31420 |
|---|---|
| CAS | 128-95-0 |
| Molecular Weight (g/mol) | 238.25 |
| MDL Number | MFCD00001224 |
| SMILES | NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O |
| Synonym | 1,4-diaminoanthraquinone,disperse violet 1,krisolamine,9,10-anthracenedione, 1,4-diamino,grasol violet r,seacyl violet r,acetate red violet r,1,4-diamino anthraquinone,setacyl violet r,oil violet r |
| IUPAC Name | 1,4-diamino-9,10-dihydroanthracene-9,10-dione |
| InChI Key | FBMQNRKSAWNXBT-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
2-Oxo-4-phenylbutyric Acid 98.0+%, TCI America™
CAS: 710-11-2 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00969471 InChI Key: PPKAIMDMNWBOKN-UHFFFAOYSA-N PubChem CID: 69732 IUPAC Name: 2-oxo-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)C(=O)O
| PubChem CID | 69732 |
|---|---|
| CAS | 710-11-2 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00969471 |
| SMILES | C1=CC=C(C=C1)CCC(=O)C(=O)O |
| IUPAC Name | 2-oxo-4-phenylbutanoic acid |
| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
3-(4-Bromobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 6340-79-0 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00016563 InChI Key: ZODFRCZNTXLDDW-UHFFFAOYSA-N Synonym: 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid PubChem CID: 80646 IUPAC Name: 4-(4-bromophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 80646 |
|---|---|
| CAS | 6340-79-0 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00016563 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid |
| IUPAC Name | 4-(4-bromophenyl)-4-oxobutanoic acid |
| InChI Key | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
2-Acetyl-5-chlorothiophene 99.0+%, TCI America™
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
4'-Methylpropiophenone 95.0+%, TCI America™
CAS: 5337-93-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00009312 InChI Key: PATYHUUYADUHQS-UHFFFAOYSA-N Synonym: 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone PubChem CID: 21429 ChEBI: CHEBI:59335 IUPAC Name: 1-(4-methylphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)C=C1
| PubChem CID | 21429 |
|---|---|
| CAS | 5337-93-9 |
| Molecular Weight (g/mol) | 148.21 |
| ChEBI | CHEBI:59335 |
| MDL Number | MFCD00009312 |
| SMILES | CCC(=O)C1=CC=C(C)C=C1 |
| Synonym | 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone |
| IUPAC Name | 1-(4-methylphenyl)propan-1-one |
| InChI Key | PATYHUUYADUHQS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-Hydroxy-2-butanone 95.0+%, TCI America™
CAS: 590-90-9 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00059005 InChI Key: LVSQXDHWDCMMRJ-UHFFFAOYSA-N Synonym: 4-hydroxy-2-butanone,2-butanone, 4-hydroxy,methylolacetone,3-oxo-1-butanol,3-oxobutanol,3-ketobutan-1-ol,monomethylolacetone,4-butanol-2-one,unii-tcm0bj44mf,2-hydroxyethyl methyl ketone PubChem CID: 111509 ChEBI: CHEBI:41268 IUPAC Name: 4-hydroxybutan-2-one SMILES: CC(=O)CCO
| PubChem CID | 111509 |
|---|---|
| CAS | 590-90-9 |
| Molecular Weight (g/mol) | 88.106 |
| ChEBI | CHEBI:41268 |
| MDL Number | MFCD00059005 |
| SMILES | CC(=O)CCO |
| Synonym | 4-hydroxy-2-butanone,2-butanone, 4-hydroxy,methylolacetone,3-oxo-1-butanol,3-oxobutanol,3-ketobutan-1-ol,monomethylolacetone,4-butanol-2-one,unii-tcm0bj44mf,2-hydroxyethyl methyl ketone |
| IUPAC Name | 4-hydroxybutan-2-one |
| InChI Key | LVSQXDHWDCMMRJ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Phenacyl 4-(Bromomethyl)phenylacetate 97.0+%, TCI America™
CAS: 66270-97-1 Molecular Formula: C17H15BrO3 Molecular Weight (g/mol): 347.21 MDL Number: MFCD00009632 InChI Key: BUQPIKAEKYNDAS-UHFFFAOYSA-N Synonym: 4-(Bromomethyl)phenylacetic Acid Phenacyl Ester PubChem CID: 570776 IUPAC Name: 2-oxo-2-phenylethyl 2-[4-(bromomethyl)phenyl]acetate SMILES: BrCC1=CC=C(CC(=O)OCC(=O)C2=CC=CC=C2)C=C1
| PubChem CID | 570776 |
|---|---|
| CAS | 66270-97-1 |
| Molecular Weight (g/mol) | 347.21 |
| MDL Number | MFCD00009632 |
| SMILES | BrCC1=CC=C(CC(=O)OCC(=O)C2=CC=CC=C2)C=C1 |
| Synonym | 4-(Bromomethyl)phenylacetic Acid Phenacyl Ester |
| IUPAC Name | 2-oxo-2-phenylethyl 2-[4-(bromomethyl)phenyl]acetate |
| InChI Key | BUQPIKAEKYNDAS-UHFFFAOYSA-N |
| Molecular Formula | C17H15BrO3 |
3-Chloro-4'-methoxypropiophenone 95.0+%, TCI America™
CAS: 35999-20-3 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.65 MDL Number: MFCD00236602 InChI Key: FJBUZSAECLLZOL-UHFFFAOYSA-N PubChem CID: 233255 IUPAC Name: 3-chloro-1-(4-methoxyphenyl)propan-1-one SMILES: COC1=CC=C(C=C1)C(=O)CCCl
| PubChem CID | 233255 |
|---|---|
| CAS | 35999-20-3 |
| Molecular Weight (g/mol) | 198.65 |
| MDL Number | MFCD00236602 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCCl |
| IUPAC Name | 3-chloro-1-(4-methoxyphenyl)propan-1-one |
| InChI Key | FJBUZSAECLLZOL-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO2 |
4'-Hydroxyhexanophenone 99.0+%, TCI America™
CAS: 2589-72-2 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00671540 InChI Key: YDGNMJZDWLQUTE-UHFFFAOYSA-N PubChem CID: 345110 IUPAC Name: 1-(4-hydroxyphenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 345110 |
|---|---|
| CAS | 2589-72-2 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00671540 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | 1-(4-hydroxyphenyl)hexan-1-one |
| InChI Key | YDGNMJZDWLQUTE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
2',4'-Dimethylacetophenone 95.0+%, TCI America™
CAS: 89-74-7 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00003571 InChI Key: HSDSKVWQTONQBJ-UHFFFAOYSA-N Synonym: 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone PubChem CID: 6985 IUPAC Name: 1-(2,4-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C(=O)C)C
| PubChem CID | 6985 |
|---|---|
| CAS | 89-74-7 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00003571 |
| SMILES | CC1=CC(=C(C=C1)C(=O)C)C |
| Synonym | 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone |
| IUPAC Name | 1-(2,4-dimethylphenyl)ethanone |
| InChI Key | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
3'-Chloro-4'-methoxyacetophenone 98.0+%, TCI America™
CAS: 37612-52-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD04973413 InChI Key: QILWOKAXHOAFOF-UHFFFAOYSA-N Synonym: 3-chloro-4-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethanone,3'-chloro-4'-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-chloro-4-methoxyphenyl,pubchem16367,3-chloro-4-methoxy acetophenone,3'-chloro-4'-methoxy acetophenone,3-cl-4-ch3o-c6h3-coch3 PubChem CID: 520857 IUPAC Name: 1-(3-chloro-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)Cl
| PubChem CID | 520857 |
|---|---|
| CAS | 37612-52-5 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD04973413 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)Cl |
| Synonym | 3-chloro-4-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethanone,3'-chloro-4'-methoxyacetophenone,1-3-chloro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-chloro-4-methoxyphenyl,pubchem16367,3-chloro-4-methoxy acetophenone,3'-chloro-4'-methoxy acetophenone,3-cl-4-ch3o-c6h3-coch3 |
| IUPAC Name | 1-(3-chloro-4-methoxyphenyl)ethanone |
| InChI Key | QILWOKAXHOAFOF-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
2',3',4'-Trichloroacetophenone 98.0+%, TCI America™
CAS: 13608-87-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000542 InChI Key: BXJZZJYNVIDEKG-UHFFFAOYSA-N PubChem CID: 26132 IUPAC Name: 1-(2,3,4-trichlorophenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl
| PubChem CID | 26132 |
|---|---|
| CAS | 13608-87-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000542 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl |
| IUPAC Name | 1-(2,3,4-trichlorophenyl)ethanone |
| InChI Key | BXJZZJYNVIDEKG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
2'-Acetoxyacetophenone 98.0+%, TCI America™
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: 2-acetylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | 2-acetylphenyl acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-Benzoylbutyric Acid 96.0+%, TCI America™
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 |