Carbonyl compounds
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Benzbromarone 98.0+%, TCI America™
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CAS: 3562-84-3 Molecular Formula: C17H12Br2O3 Molecular Weight (g/mol): 424.088 MDL Number: MFCD00078962 InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N Synonym: benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron PubChem CID: 2333 ChEBI: CHEBI:3023 IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 2333 |
|---|---|
| CAS | 3562-84-3 |
| Molecular Weight (g/mol) | 424.088 |
| ChEBI | CHEBI:3023 |
| MDL Number | MFCD00078962 |
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Molecular Formula | C17H12Br2O3 |
1-Octen-3-one 95.0+%, TCI America™
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CAS: 4312-99-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00036558 InChI Key: KLTVSWGXIAYTHO-UHFFFAOYSA-N Synonym: 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 PubChem CID: 61346 IUPAC Name: oct-1-en-3-one SMILES: CCCCCC(=O)C=C
| PubChem CID | 61346 |
|---|---|
| CAS | 4312-99-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00036558 |
| SMILES | CCCCCC(=O)C=C |
| Synonym | 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 |
| IUPAC Name | oct-1-en-3-one |
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
3-(Methoxymethoxy)benzaldehyde 95.0+%, TCI America™
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CAS: 13709-05-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD04038425 InChI Key: JAFJNSQISURLCX-UHFFFAOYSA-N PubChem CID: 12273513 IUPAC Name: 3-(methoxymethoxy)benzaldehyde SMILES: COCOC1=CC=CC(=C1)C=O
| PubChem CID | 12273513 |
|---|---|
| CAS | 13709-05-2 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD04038425 |
| SMILES | COCOC1=CC=CC(=C1)C=O |
| IUPAC Name | 3-(methoxymethoxy)benzaldehyde |
| InChI Key | JAFJNSQISURLCX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ethyl 2-Formylpropionate 97.0+%, TCI America™
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CAS: 27772-62-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00044012 InChI Key: VVCYNVCCODBCOE-UHFFFAOYSA-N Synonym: 2-Formylpropionic Acid Ethyl Ester PubChem CID: 10898741 IUPAC Name: ethyl 2-methyl-3-oxopropanoate SMILES: CCOC(=O)C(C)C=O
| PubChem CID | 10898741 |
|---|---|
| CAS | 27772-62-9 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00044012 |
| SMILES | CCOC(=O)C(C)C=O |
| Synonym | 2-Formylpropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-methyl-3-oxopropanoate |
| InChI Key | VVCYNVCCODBCOE-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
Bis(trifluoro-2,4-pentanedionato)cobalt(II) Hydrate 90.0+%, TCI America™
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CAS: 16092-38-9 Molecular Formula: C10H10CoF6O4 Molecular Weight (g/mol): 367.11 MDL Number: MFCD00044994 InChI Key: GCHODJIKBYKCNY-UHFFFAOYSA-N Synonym: Cobalt(II) Trifluoroacetylacetonate, Trifluoroacetylacetono Cobalt(II) Salt PubChem CID: 102601710 IUPAC Name: bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one) cobalt SMILES: [Co].CC(=O)C=C(O)C(F)(F)F.CC(=O)C=C(O)C(F)(F)F
| PubChem CID | 102601710 |
|---|---|
| CAS | 16092-38-9 |
| Molecular Weight (g/mol) | 367.11 |
| MDL Number | MFCD00044994 |
| SMILES | [Co].CC(=O)C=C(O)C(F)(F)F.CC(=O)C=C(O)C(F)(F)F |
| Synonym | Cobalt(II) Trifluoroacetylacetonate, Trifluoroacetylacetono Cobalt(II) Salt |
| IUPAC Name | bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one) cobalt |
| InChI Key | GCHODJIKBYKCNY-UHFFFAOYSA-N |
| Molecular Formula | C10H10CoF6O4 |
6-(Trifluoromethyl)-3-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 386704-12-7 Molecular Formula: C7H4F3NO Molecular Weight (g/mol): 175.11 MDL Number: MFCD01862647 InChI Key: MRPAGRCGPAXOGS-UHFFFAOYSA-N Synonym: 6-trifluoromethyl pyridine-3-carboxaldehyde,6-trifluoromethyl nicotinaldehyde,2-trifluoromethyl pyridine-5-carboxaldehyde,6-trifluoromethyl pyridine-3-carbaldehyde,5-formyl-2-trifluoromethyl pyridine,3-pyridinecarboxaldehyde, 6-trifluoromethyl,6-trifluoromethyl-pyridine-3-carbaldehyde,6-trifluoromethyl-3-pyridinecarboxaldehyde,2-trifluoromethyl pyridine-5-carbaldehyde,pubchem15866 PubChem CID: 2777762 IUPAC Name: 6-(trifluoromethyl)pyridine-3-carbaldehyde SMILES: FC(F)(F)C1=NC=C(C=O)C=C1
| PubChem CID | 2777762 |
|---|---|
| CAS | 386704-12-7 |
| Molecular Weight (g/mol) | 175.11 |
| MDL Number | MFCD01862647 |
| SMILES | FC(F)(F)C1=NC=C(C=O)C=C1 |
| Synonym | 6-trifluoromethyl pyridine-3-carboxaldehyde,6-trifluoromethyl nicotinaldehyde,2-trifluoromethyl pyridine-5-carboxaldehyde,6-trifluoromethyl pyridine-3-carbaldehyde,5-formyl-2-trifluoromethyl pyridine,3-pyridinecarboxaldehyde, 6-trifluoromethyl,6-trifluoromethyl-pyridine-3-carbaldehyde,6-trifluoromethyl-3-pyridinecarboxaldehyde,2-trifluoromethyl pyridine-5-carbaldehyde,pubchem15866 |
| IUPAC Name | 6-(trifluoromethyl)pyridine-3-carbaldehyde |
| InChI Key | MRPAGRCGPAXOGS-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO |
4,4'-Dibromobenzil 97.0+%, TCI America™
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CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 Molecular Weight (g/mol): 368.024 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N Synonym: 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione PubChem CID: 96430 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| Molecular Weight (g/mol) | 368.024 |
| MDL Number | MFCD00000104 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br |
| Synonym | 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione |
| IUPAC Name | 1,2-bis(4-bromophenyl)ethane-1,2-dione |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |
5-Fluoro-1-indanone 96.0+%, TCI America™
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CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 IUPAC Name: 5-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
3-(2-Hydroxyethoxy)benzaldehyde 96.0+%, TCI America™
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CAS: 60345-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191448 InChI Key: LIUCHRXQRHVSJI-UHFFFAOYSA-N PubChem CID: 6453965 IUPAC Name: 3-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=CC(C=O)=C1
| PubChem CID | 6453965 |
|---|---|
| CAS | 60345-97-3 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00191448 |
| SMILES | OCCOC1=CC=CC(C=O)=C1 |
| IUPAC Name | 3-(2-hydroxyethoxy)benzaldehyde |
| InChI Key | LIUCHRXQRHVSJI-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Bromoacetylnaphthalene 98.0+%, TCI America™
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CAS: 613-54-7 Molecular Formula: C12H9BrO Molecular Weight (g/mol): 249.107 MDL Number: MFCD00004109 InChI Key: YHXHHGDUANVQHE-UHFFFAOYSA-N Synonym: 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone PubChem CID: 69179 IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
| PubChem CID | 69179 |
|---|---|
| CAS | 613-54-7 |
| Molecular Weight (g/mol) | 249.107 |
| MDL Number | MFCD00004109 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CBr |
| Synonym | 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone |
| IUPAC Name | 2-bromo-1-naphthalen-2-ylethanone |
| InChI Key | YHXHHGDUANVQHE-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrO |
3'-Chloroacetophenone 97.0+%, TCI America™
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CAS: 99-02-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000593 InChI Key: UUWJBXKHMMQDED-UHFFFAOYSA-N Synonym: 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone PubChem CID: 14933 IUPAC Name: 1-(3-chlorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 14933 |
|---|---|
| CAS | 99-02-5 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000593 |
| SMILES | CC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone |
| IUPAC Name | 1-(3-chlorophenyl)ethan-1-one |
| InChI Key | UUWJBXKHMMQDED-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione 98.0+%, TCI America™
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CAS: 1196107-73-9 Molecular Formula: C23H15BrO2 Molecular Weight (g/mol): 403.275 MDL Number: MFCD20275103 InChI Key: NREMKCAHBDRWFB-UHFFFAOYSA-N PubChem CID: 58175361 SMILES: CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C
| PubChem CID | 58175361 |
|---|---|
| CAS | 1196107-73-9 |
| Molecular Weight (g/mol) | 403.275 |
| MDL Number | MFCD20275103 |
| SMILES | CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C |
| InChI Key | NREMKCAHBDRWFB-UHFFFAOYSA-N |
| Molecular Formula | C23H15BrO2 |
Mono-tert-butyl Malonate 97.0+%, TCI America™
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CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O
| PubChem CID | 545853 |
|---|---|
| CAS | 40052-13-9 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00191886 |
| SMILES | CC(C)(C)OC(=O)CC(=O)O |
| Synonym | 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI Key | NGGGZUAEOKRHMA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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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 |
4-Butoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5736-88-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00003389 InChI Key: XHWMNHADTZZHGI-UHFFFAOYSA-N Synonym: p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde PubChem CID: 79813 IUPAC Name: 4-butoxybenzaldehyde SMILES: CCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79813 |
|---|---|
| CAS | 5736-88-9 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00003389 |
| SMILES | CCCCOC1=CC=C(C=C1)C=O |
| Synonym | p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde |
| IUPAC Name | 4-butoxybenzaldehyde |
| InChI Key | XHWMNHADTZZHGI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |