Carbonyl compounds
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4'-Isobutylacetophenone, 97%
CAS: 38861-78-8 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C
| PubChem CID | 93214 |
|---|---|
| CAS | 38861-78-8 |
| Molecular Weight (g/mol) | 176.26 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethanone |
| InChI Key | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-Chloro-4-hydroxybenzaldehyde, 97%
CAS: 56962-11-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 InChI Key: ZMOMCILMBYEGLD-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde PubChem CID: 185363 IUPAC Name: 2-chloro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)Cl)C=O
| PubChem CID | 185363 |
|---|---|
| CAS | 56962-11-9 |
| Molecular Weight (g/mol) | 156.57 |
| SMILES | C1=CC(=C(C=C1O)Cl)C=O |
| Synonym | benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 2-chloro-4-hydroxybenzaldehyde |
| InChI Key | ZMOMCILMBYEGLD-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
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 |
Methyl 4-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™
CAS: 212755-76-5 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216521 InChI Key: NMJOILIYLOHXGP-UHFFFAOYSA-N Synonym: methyl 4-trifluoromethyl benzoylacetate,methyl 4-trifluoromethylbenzoylacetate,methyl 3-oxo-3-4-trifluoromethyl phenyl propanoate,3-oxo-3-4-trifluoromethylphenyl propionic acid methyl ester,methyl 3-4-trifluoromethyl phenyl-3-oxopropanoate,pubchem2696,buttpark 18\10-41,methyl 4-trifluoromethyl benzoyl acetate PubChem CID: 735882 IUPAC Name: methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 735882 |
|---|---|
| CAS | 212755-76-5 |
| Molecular Weight (g/mol) | 246.19 |
| MDL Number | MFCD00216521 |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | methyl 4-trifluoromethyl benzoylacetate,methyl 4-trifluoromethylbenzoylacetate,methyl 3-oxo-3-4-trifluoromethyl phenyl propanoate,3-oxo-3-4-trifluoromethylphenyl propionic acid methyl ester,methyl 3-4-trifluoromethyl phenyl-3-oxopropanoate,pubchem2696,buttpark 18\10-41,methyl 4-trifluoromethyl benzoyl acetate |
| IUPAC Name | methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate |
| InChI Key | NMJOILIYLOHXGP-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O3 |
Chroman-6-carbaldehyde, 95%, Thermo Scientific™
CAS: 55745-97-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD08146589 InChI Key: YIHDTNNFJDJYRG-UHFFFAOYSA-N Synonym: chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro PubChem CID: 6504215 IUPAC Name: 3,4-dihydro-2H-chromene-6-carbaldehyde SMILES: C1CC2=C(C=CC(=C2)C=O)OC1
| PubChem CID | 6504215 |
|---|---|
| CAS | 55745-97-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD08146589 |
| SMILES | C1CC2=C(C=CC(=C2)C=O)OC1 |
| Synonym | chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-chromene-6-carbaldehyde |
| InChI Key | YIHDTNNFJDJYRG-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
3'-Fluoro-4'-methoxyacetophenone, 99%
CAS: 455-91-4 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00026219 InChI Key: LQASUDVYVOFKNK-UHFFFAOYSA-N Synonym: 3'-fluoro-4'-methoxyacetophenone,3-fluoro-4-methoxyacetophenone,1-3-fluoro-4-methoxyphenyl ethanone,1-3-fluoro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-fluoro-4-methoxyphenyl,3'-fluoro-4-methoxyacetophenone,acetophenone, 3'-fluoro-4'-methoxy,1-3-fluoro-4-methoxy-phenyl-ethanone,1-3-fluoro-4-methoxyphenyl-1-ethanone,1-3-fluoro-4-methoxy-phenyl ethanone PubChem CID: 96828 IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)F
| PubChem CID | 96828 |
|---|---|
| CAS | 455-91-4 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00026219 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)F |
| Synonym | 3'-fluoro-4'-methoxyacetophenone,3-fluoro-4-methoxyacetophenone,1-3-fluoro-4-methoxyphenyl ethanone,1-3-fluoro-4-methoxyphenyl ethan-1-one,ethanone, 1-3-fluoro-4-methoxyphenyl,3'-fluoro-4-methoxyacetophenone,acetophenone, 3'-fluoro-4'-methoxy,1-3-fluoro-4-methoxy-phenyl-ethanone,1-3-fluoro-4-methoxyphenyl-1-ethanone,1-3-fluoro-4-methoxy-phenyl ethanone |
| IUPAC Name | 1-(3-fluoro-4-methoxyphenyl)ethanone |
| InChI Key | LQASUDVYVOFKNK-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
4'-Chloroacetophenone, 98+%
CAS: 99-91-2 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000624 InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonym: 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene PubChem CID: 7467 ChEBI: CHEBI:27538 IUPAC Name: 1-(4-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 7467 |
|---|---|
| CAS | 99-91-2 |
| Molecular Weight (g/mol) | 154.59 |
| ChEBI | CHEBI:27538 |
| MDL Number | MFCD00000624 |
| SMILES | CC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene |
| IUPAC Name | 1-(4-chlorophenyl)ethanone |
| InChI Key | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
Pyridine-2-carboxaldehyde, 99%
CAS: 1121-60-4 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O
| PubChem CID | 14273 |
|---|---|
| CAS | 1121-60-4 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:73012 |
| MDL Number | MFCD00006290 |
| SMILES | C1=CC=NC(=C1)C=O |
| Synonym | 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde |
| IUPAC Name | pyridine-2-carbaldehyde |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
2-Chloroacetophenone, 98%, Thermo Scientific Chemicals
CAS: 532-27-4 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000933 InChI Key: IMACFCSSMIZSPP-UHFFFAOYSA-N Synonym: 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone PubChem CID: 10757 IUPAC Name: 2-chloro-1-phenylethan-1-one SMILES: ClCC(=O)C1=CC=CC=C1
| PubChem CID | 10757 |
|---|---|
| CAS | 532-27-4 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000933 |
| SMILES | ClCC(=O)C1=CC=CC=C1 |
| Synonym | 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone |
| IUPAC Name | 2-chloro-1-phenylethan-1-one |
| InChI Key | IMACFCSSMIZSPP-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
1-Methylimidazole-2-carboxaldehyde, 98%
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methylimidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methylimidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
4-Acetylpyridine, 98%
CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Hexanoylfuran, 99%
CAS: 14360-50-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00037354 InChI Key: YUAYWSBSIJVIBS-UHFFFAOYSA-N Synonym: 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl PubChem CID: 61738 IUPAC Name: 1-(furan-2-yl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=CO1
| PubChem CID | 61738 |
|---|---|
| CAS | 14360-50-0 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00037354 |
| SMILES | CCCCCC(=O)C1=CC=CO1 |
| Synonym | 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl |
| IUPAC Name | 1-(furan-2-yl)hexan-1-one |
| InChI Key | YUAYWSBSIJVIBS-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
7-Chloroisatin, 97%
CAS: 7477-63-6 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.575 MDL Number: MFCD00022796 InChI Key: MPLXQMMMGDYXIT-UHFFFAOYSA-N PubChem CID: 344135 IUPAC Name: 7-chloro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)C2=O
| PubChem CID | 344135 |
|---|---|
| CAS | 7477-63-6 |
| Molecular Weight (g/mol) | 181.575 |
| MDL Number | MFCD00022796 |
| SMILES | C1=CC2=C(C(=C1)Cl)NC(=O)C2=O |
| IUPAC Name | 7-chloro-1H-indole-2,3-dione |
| InChI Key | MPLXQMMMGDYXIT-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO2 |
4-Bromosalicylaldehyde, 97%
CAS: 22532-62-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD06252606 InChI Key: HXTWKHXDFATMSP-UHFFFAOYSA-N Synonym: 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde PubChem CID: 4066019 IUPAC Name: 4-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)O)C=O
| PubChem CID | 4066019 |
|---|---|
| CAS | 22532-62-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD06252606 |
| SMILES | C1=CC(=C(C=C1Br)O)C=O |
| Synonym | 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde |
| IUPAC Name | 4-bromo-2-hydroxybenzaldehyde |
| InChI Key | HXTWKHXDFATMSP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |