Organooxygen compounds
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Diethyl oxalacetate sodium salt, 95%, pract.
CAS: 40876-98-0 Molecular Formula: C8H11NaO5 Molecular Weight (g/mol): 210.16 MDL Number: MFCD00035571 InChI Key: UJZUICGIJODKOS-UHFFFAOYSA-M Synonym: diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n PubChem CID: 44134875 IUPAC Name: sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate SMILES: CCOC(=O)C=C(C(=O)OCC)[O-].[Na+]
| PubChem CID | 44134875 |
|---|---|
| CAS | 40876-98-0 |
| Molecular Weight (g/mol) | 210.16 |
| MDL Number | MFCD00035571 |
| SMILES | CCOC(=O)C=C(C(=O)OCC)[O-].[Na+] |
| Synonym | diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n |
| IUPAC Name | sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate |
| InChI Key | UJZUICGIJODKOS-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO5 |
DL-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Methyl 4-formylbenzoate, 99%
CAS: 1571-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00006950 InChI Key: FEIOASZZURHTHB-UHFFFAOYSA-N Synonym: methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate PubChem CID: 15294 IUPAC Name: methyl 4-formylbenzoate SMILES: COC(=O)C1=CC=C(C=O)C=C1
| PubChem CID | 15294 |
|---|---|
| CAS | 1571-08-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00006950 |
| SMILES | COC(=O)C1=CC=C(C=O)C=C1 |
| Synonym | methyl p-formylbenzoate,4-carbomethoxybenzaldehyde,methyl terephthalaldehydate,4-methoxycarbonyl benzaldehyde,benzoic acid, 4-formyl-, methyl ester,p-carbomethoxybenzaldehyde,methyl terephthaldehydate,methyl4-formylbenzoate,4-formylbenzoic acid methyl ester,methyl-p-formyl benzoate |
| IUPAC Name | methyl 4-formylbenzoate |
| InChI Key | FEIOASZZURHTHB-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
3,4-Hexanedione, 96%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Methyl 2-cyclopentanonecarboxylate, 96%
CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O
| PubChem CID | 66328 |
|---|---|
| CAS | 10472-24-9 |
| Molecular Weight (g/mol) | 142.15 |
| MDL Number | MFCD00001411 |
| SMILES | COC(=O)C1CCCC1=O |
| Synonym | methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane |
| IUPAC Name | methyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | PZBBESSUKAHBHD-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Benzo[b]furan-2-carboxaldehyde, 96%
CAS: 4265-16-1 MDL Number: MFCD00015463 InChI Key: ADDZHRRCUWNSCS-UHFFFAOYSA-N Synonym: benzo b furan-2-carboxaldehyde,2-benzofurancarboxaldehyde,benzofuran-2-carbaldehyde,benzofuran-2-carboxaldehyde,2-formylbenzofuran,2-benzofurancarbaldehyde,coumarilaldehyde,1-benzofuran-2-carboxaldehyde,benzofuran-2-aldehyde,benzo b-2-furfural PubChem CID: 61341 IUPAC Name: 1-benzofuran-2-carbaldehyde SMILES: C1=CC=C2C(=C1)C=C(O2)C=O
| PubChem CID | 61341 |
|---|---|
| CAS | 4265-16-1 |
| MDL Number | MFCD00015463 |
| SMILES | C1=CC=C2C(=C1)C=C(O2)C=O |
| Synonym | benzo b furan-2-carboxaldehyde,2-benzofurancarboxaldehyde,benzofuran-2-carbaldehyde,benzofuran-2-carboxaldehyde,2-formylbenzofuran,2-benzofurancarbaldehyde,coumarilaldehyde,1-benzofuran-2-carboxaldehyde,benzofuran-2-aldehyde,benzo b-2-furfural |
| IUPAC Name | 1-benzofuran-2-carbaldehyde |
| InChI Key | ADDZHRRCUWNSCS-UHFFFAOYSA-N |
2-Bromo-4'-fluoroacetophenone, 98%
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 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) | 217.04 |
| 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 |
4,4'-Dibromobenzil, 97%
CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 Molecular Weight (g/mol): 368.03 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) | 368.03 |
| 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 |
4-Acetamidoacetophenone, 98%
CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.2 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
| PubChem CID | 75937 |
|---|---|
| CAS | 2719-21-3 |
| Molecular Weight (g/mol) | 177.2 |
| MDL Number | MFCD00014965 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone |
| IUPAC Name | N-(4-acetylphenyl)acetamide |
| InChI Key | WECHHDJTILFYQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
2-Bromomalonaldehyde, 97+%
CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.95 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br
| PubChem CID | 74945 |
|---|---|
| CAS | 2065-75-0 |
| Molecular Weight (g/mol) | 150.95 |
| SMILES | C(=O)C(C=O)Br |
| Synonym | 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde |
| IUPAC Name | 2-bromopropanedial |
| InChI Key | SURMYNZXHKLDFO-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
2-Bromo-3-pyridinecarboxaldehyde, 96%
CAS: 128071-75-0 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186 MDL Number: MFCD04966945 InChI Key: GNFWMEFWZWXLIN-UHFFFAOYSA-N Synonym: 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde PubChem CID: 4714951 IUPAC Name: 2-bromopyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Br)C=O
| PubChem CID | 4714951 |
|---|---|
| CAS | 128071-75-0 |
| Molecular Weight (g/mol) | 186 |
| MDL Number | MFCD04966945 |
| SMILES | C1=CC(=C(N=C1)Br)C=O |
| Synonym | 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde |
| IUPAC Name | 2-bromopyridine-3-carbaldehyde |
| InChI Key | GNFWMEFWZWXLIN-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
2-Hydroxy-5-methylbenzaldehyde, 99%
CAS: 613-84-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00274297 InChI Key: ILEIUTCVWLYZOM-UHFFFAOYSA-N Synonym: 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k PubChem CID: 69184 IUPAC Name: 2-hydroxy-5-methylbenzaldehyde SMILES: CC1=CC=C(O)C(C=O)=C1
| PubChem CID | 69184 |
|---|---|
| CAS | 613-84-3 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00274297 |
| SMILES | CC1=CC=C(O)C(C=O)=C1 |
| Synonym | 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k |
| IUPAC Name | 2-hydroxy-5-methylbenzaldehyde |
| InChI Key | ILEIUTCVWLYZOM-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Bromo-1-indanone, 97%, Thermo Scientific Chemicals
CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
| PubChem CID | 98713 |
|---|---|
| CAS | 15115-60-3 |
| Molecular Weight (g/mol) | 211.06 |
| MDL Number | MFCD01719772 |
| SMILES | BrC1=CC=CC2=C1CCC2=O |
| Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
| IUPAC Name | 4-bromo-2,3-dihydroinden-1-one |
| InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
Pivaldehyde, 96%, AcroSeal™
CAS: 630-19-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006962 InChI Key: FJJYHTVHBVXEEQ-UHFFFAOYSA-N Synonym: trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde PubChem CID: 12417 IUPAC Name: 2,2-dimethylpropanal SMILES: CC(C)(C)C=O
| PubChem CID | 12417 |
|---|---|
| CAS | 630-19-3 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00006962 |
| SMILES | CC(C)(C)C=O |
| Synonym | trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde |
| IUPAC Name | 2,2-dimethylpropanal |
| InChI Key | FJJYHTVHBVXEEQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Amlodipine Related Compound A, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.