Carbonyl compounds
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4-(Trifluoromethyl)-1-indanone, 97%, Thermo Scientific Chemicals
CAS: 68755-42-0 Molecular Formula: C10H7F3O Molecular Weight (g/mol): 200.16 MDL Number: MFCD07772121 InChI Key: LJVBFMQEZSEGRL-UHFFFAOYSA-N Synonym: 4-trifluoromethyl-1-indanone,4-trifluoromethyl-2,3-dihydro-1h-inden-1-one,4-trifluoromethyl-2,3-dihydroinden-1-one,1h-inden-1-one, 2,3-dihydro-4-trifluoromethyl,4-trifluoromethyl indan-1-one,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one, 2,3-dihydro-1-oxo-4-trifluoromethyl-1h-indene,acmc-1b8x3,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one PubChem CID: 21921093 IUPAC Name: 4-(trifluoromethyl)-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F
| PubChem CID | 21921093 |
|---|---|
| CAS | 68755-42-0 |
| Molecular Weight (g/mol) | 200.16 |
| MDL Number | MFCD07772121 |
| SMILES | C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F |
| Synonym | 4-trifluoromethyl-1-indanone,4-trifluoromethyl-2,3-dihydro-1h-inden-1-one,4-trifluoromethyl-2,3-dihydroinden-1-one,1h-inden-1-one, 2,3-dihydro-4-trifluoromethyl,4-trifluoromethyl indan-1-one,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one, 2,3-dihydro-1-oxo-4-trifluoromethyl-1h-indene,acmc-1b8x3,2,3-dihydro-4-trifluoromethyl-1h-inden-1-one |
| IUPAC Name | 4-(trifluoromethyl)-2,3-dihydroinden-1-one |
| InChI Key | LJVBFMQEZSEGRL-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3O |
3-Penten-2-one, tech. 85%
CAS: 625-33-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009290 InChI Key: LABTWGUMFABVFG-ONEGZZNKSA-N Synonym: z-pent-3-en-2-one,unii-w8xx21whyc,z-3-penten-2-one,w8xx21whyc,3-penten-2-one,3z-pent-3-en-2-one,3-penten-2-one, z,cis-3-penten-2-one,3-penten-2-one, cis PubChem CID: 637920 IUPAC Name: (E)-pent-3-en-2-one SMILES: CC=CC(=O)C
| PubChem CID | 637920 |
|---|---|
| CAS | 625-33-2 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00009290 |
| SMILES | CC=CC(=O)C |
| Synonym | z-pent-3-en-2-one,unii-w8xx21whyc,z-3-penten-2-one,w8xx21whyc,3-penten-2-one,3z-pent-3-en-2-one,3-penten-2-one, z,cis-3-penten-2-one,3-penten-2-one, cis |
| IUPAC Name | (E)-pent-3-en-2-one |
| InChI Key | LABTWGUMFABVFG-ONEGZZNKSA-N |
| Molecular Formula | C5H8O |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
Thermo Scientific Chemicals Emodin, 95%, tech.
CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.23 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
| PubChem CID | 3220 |
|---|---|
| CAS | 518-82-1 |
| Molecular Weight (g/mol) | 270.23 |
| ChEBI | CHEBI:42223 |
| MDL Number | MFCD00001207 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
| Synonym | emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Acetaldehyde, Reagent, ACS, 99.5%, Spectrum™ Chemical
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CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.05 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N IUPAC Name: acetaldehyde SMILES: CC=O
| CAS | 75-07-0 |
|---|---|
| Molecular Weight (g/mol) | 44.05 |
| SMILES | CC=O |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
4'-Hydroxy-3',5'-dimethoxyacetophenone, 97%
CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O
| PubChem CID | 17198 |
|---|---|
| CAS | 2478-38-8 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:2404 |
| MDL Number | MFCD00008748 |
| SMILES | COC1=CC(=CC(OC)=C1O)C(C)=O |
| Synonym | acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy |
| IUPAC Name | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone |
| InChI Key | OJOBTAOGJIWAGB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
3-Ethoxy-4-hydroxybenzaldehyde, 97%
CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| PubChem CID | 8467 |
|---|---|
| CAS | 121-32-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:48408 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| Synonym | ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 273727-50-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD09817468 InChI Key: YUNJEYQSCYYAEF-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde PubChem CID: 18545510 IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C1=CC(C=O)=CC=C1
| PubChem CID | 18545510 |
|---|---|
| CAS | 273727-50-7 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD09817468 |
| SMILES | CC1=NOC(=N1)C1=CC(C=O)=CC=C1 |
| Synonym | 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde |
| IUPAC Name | 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
| InChI Key | YUNJEYQSCYYAEF-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
2-Fluorocyclohexanone, 96%
CAS: 694-82-6 Molecular Formula: C6H9FO Molecular Weight (g/mol): 116.135 MDL Number: MFCD01076476 InChI Key: VQYOFTVCYSPHPG-UHFFFAOYSA-N Synonym: 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one PubChem CID: 11829404 IUPAC Name: 2-fluorocyclohexan-1-one SMILES: C1CCC(=O)C(C1)F
| PubChem CID | 11829404 |
|---|---|
| CAS | 694-82-6 |
| Molecular Weight (g/mol) | 116.135 |
| MDL Number | MFCD01076476 |
| SMILES | C1CCC(=O)C(C1)F |
| Synonym | 2-fluorocyclohexanone,cyclohexanone, 2-fluoro,2-fluorocylcohexanone,acmc-209o8v,2-fluoro-cyclohexan-1-one |
| IUPAC Name | 2-fluorocyclohexan-1-one |
| InChI Key | VQYOFTVCYSPHPG-UHFFFAOYSA-N |
| Molecular Formula | C6H9FO |
9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%
CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23661981 |
|---|---|
| CAS | 153277-35-1 |
| Molecular Weight (g/mol) | 310.255 |
| MDL Number | MFCD00149068 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate |
| IUPAC Name | sodium;9,10-dioxoanthracene-2-sulfonate |
| InChI Key | GGCZERPQGJTIQP-UHFFFAOYSA-M |
| Molecular Formula | C14H7NaO5S |
2-Amino-5-(4-pyridyl)-1,3,4-thiadiazole, 97%
CAS: 2002-04-2 MDL Number: MFCD00473692
| CAS | 2002-04-2 |
|---|---|
| MDL Number | MFCD00473692 |
2-Methylanthraquinone, 97%
CAS: 84-54-8 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00001235 InChI Key: NJWGQARXZDRHCD-UHFFFAOYSA-N Synonym: 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl PubChem CID: 6773 ChEBI: CHEBI:9427 IUPAC Name: 2-methylanthracene-9,10-dione SMILES: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6773 |
|---|---|
| CAS | 84-54-8 |
| Molecular Weight (g/mol) | 222.243 |
| ChEBI | CHEBI:9427 |
| MDL Number | MFCD00001235 |
| SMILES | CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O |
| Synonym | 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl |
| IUPAC Name | 2-methylanthracene-9,10-dione |
| InChI Key | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
Ethyl 4-chloroacetoacetate, 97%
CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
| PubChem CID | 69484 |
|---|---|
| CAS | 638-07-3 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00000939 |
| SMILES | CCOC(=O)CC(=O)CCl |
| Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
| IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
| InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |
2-Bromo-4'-fluoroacetophenone, 97%
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00040830 InChI Key: ZJFWCELATJMDNO-UHFFFAOYSA-N Synonym: 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone PubChem CID: 96749 IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)F
| PubChem CID | 96749 |
|---|---|
| CAS | 403-29-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00040830 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)F |
| Synonym | 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone |
| IUPAC Name | 2-bromo-1-(4-fluorophenyl)ethanone |
| InChI Key | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
Benzyl 4-bromophenyl ketone, Thermo Scientific Chemicals
CAS: 2001-29-8 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.14 MDL Number: MFCD00016331 InChI Key: MOSIKPSTRPODHQ-UHFFFAOYSA-N Synonym: benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj PubChem CID: 519738 IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
| PubChem CID | 519738 |
|---|---|
| CAS | 2001-29-8 |
| Molecular Weight (g/mol) | 275.14 |
| MDL Number | MFCD00016331 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br |
| Synonym | benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj |
| IUPAC Name | 1-(4-bromophenyl)-2-phenylethanone |
| InChI Key | MOSIKPSTRPODHQ-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |