Organooxygen compounds
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Thermo Scientific Chemicals D-Tagatose, 99%
CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 92092 |
|---|---|
| CAS | 87-81-0 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:47693 |
| MDL Number | MFCD00134449 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose |
| IUPAC Name | (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-PQLUHFTBSA-N |
| Molecular Formula | C6H12O6 |
1-Methylcyclopentanol, 98%
CAS: 1462-03-9 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00001364 InChI Key: CAKWRXVKWGUISE-UHFFFAOYSA-N PubChem CID: 73830 IUPAC Name: 1-methylcyclopentan-1-ol SMILES: CC1(CCCC1)O
| PubChem CID | 73830 |
|---|---|
| CAS | 1462-03-9 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00001364 |
| SMILES | CC1(CCCC1)O |
| IUPAC Name | 1-methylcyclopentan-1-ol |
| InChI Key | CAKWRXVKWGUISE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
3,3-Dimethyl-1-butanol, 97%
CAS: 624-95-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002928 InChI Key: DUXCSEISVMREAX-UHFFFAOYSA-N Synonym: 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 PubChem CID: 12233 IUPAC Name: 3,3-dimethylbutan-1-ol SMILES: CC(C)(C)CCO
| PubChem CID | 12233 |
|---|---|
| CAS | 624-95-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00002928 |
| SMILES | CC(C)(C)CCO |
| Synonym | 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 |
| IUPAC Name | 3,3-dimethylbutan-1-ol |
| InChI Key | DUXCSEISVMREAX-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
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-Bromo-2'-fluoroacetophenone, 98%
CAS: 655-15-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00278796 InChI Key: QDNWNJSLWKHNTM-UHFFFAOYSA-N Synonym: 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone PubChem CID: 2737449 IUPAC Name: 2-bromo-1-(2-fluorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)F
| PubChem CID | 2737449 |
|---|---|
| CAS | 655-15-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00278796 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)F |
| Synonym | 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone |
| IUPAC Name | 2-bromo-1-(2-fluorophenyl)ethanone |
| InChI Key | QDNWNJSLWKHNTM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
Monothioglycerol, 95%, Spectrum™ Chemical
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M1177, 96-27-5, C3H8O2S
4-Penten-1-ol, 98+%
CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO
| PubChem CID | 13181 |
|---|---|
| CAS | 821-09-0 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00002975 |
| SMILES | C=CCCCO |
| Synonym | 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene |
| IUPAC Name | pent-4-en-1-ol |
| InChI Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
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-Ketoglutaric acid, 98%
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
3-Acetylbenzenesulfonyl chloride, 97%
CAS: 73035-16-2 Molecular Formula: C8H7ClO3S Molecular Weight (g/mol): 218.651 MDL Number: MFCD03424979 InChI Key: CGMBNEIGZOCPPP-UHFFFAOYSA-N Synonym: 3-acetylbenzene-1-sulfonyl chloride,3-acetylphenylsulfonyl chloride,3-acetyl benzenesulfonyl chloride,benzenesulfonylchloride, 3-acetyl,m-chlorosulfonylacetophenone,3-acetyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 3-acetyl,benzene sulfonylchloride 3-acetyl,benzenesulfonyl chloride, 3-acetyl-9ci PubChem CID: 2756260 IUPAC Name: 3-acetylbenzenesulfonyl chloride SMILES: CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
| PubChem CID | 2756260 |
|---|---|
| CAS | 73035-16-2 |
| Molecular Weight (g/mol) | 218.651 |
| MDL Number | MFCD03424979 |
| SMILES | CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl |
| Synonym | 3-acetylbenzene-1-sulfonyl chloride,3-acetylphenylsulfonyl chloride,3-acetyl benzenesulfonyl chloride,benzenesulfonylchloride, 3-acetyl,m-chlorosulfonylacetophenone,3-acetyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 3-acetyl,benzene sulfonylchloride 3-acetyl,benzenesulfonyl chloride, 3-acetyl-9ci |
| IUPAC Name | 3-acetylbenzenesulfonyl chloride |
| InChI Key | CGMBNEIGZOCPPP-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3S |
Quinoline-4-carboxaldehyde, 97+%
CAS: 4363-93-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00006781 InChI Key: MGCGJBXTNWUHQE-UHFFFAOYSA-N Synonym: 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde PubChem CID: 78072 IUPAC Name: quinoline-4-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=NC=C1
| PubChem CID | 78072 |
|---|---|
| CAS | 4363-93-3 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00006781 |
| SMILES | O=CC1=C2C=CC=CC2=NC=C1 |
| Synonym | 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde |
| IUPAC Name | quinoline-4-carbaldehyde |
| InChI Key | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
6-Bromoindole-3-carboxaldehyde, 95%
CAS: 17826-04-9 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00792689 InChI Key: WCCLQCBKBPTODV-UHFFFAOYSA-N Synonym: 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa PubChem CID: 2794830 IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde SMILES: BrC1=CC=C2C(NC=C2C=O)=C1
| PubChem CID | 2794830 |
|---|---|
| CAS | 17826-04-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00792689 |
| SMILES | BrC1=CC=C2C(NC=C2C=O)=C1 |
| Synonym | 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa |
| IUPAC Name | 6-bromo-1H-indole-3-carbaldehyde |
| InChI Key | WCCLQCBKBPTODV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
n-Amyl Alcohol, 99.5%, MP Biomedicals
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Methyl 4-fluorobenzoylacetate, 95%
CAS: 63131-29-3 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00000355 InChI Key: HGLVYXXPRSNKQN-UHFFFAOYSA-N Synonym: methyl 4-fluorobenzoylacetate,methyl 3-4-fluorophenyl-3-oxopropanoate,methyl p-fluorobenzoylacetate,4-fluorobenzoylacetic acid methyl ester,methyl 4'-fluorobenzoylacetate,3-4-fluoro-phenyl-3-oxo-propionic acid methyl ester,benzenepropanoic acid, 4-fluoro-beta-oxo-, methyl ester,benzenepropanoic acid, 4-fluoro-.beta.-oxo-, methyl ester,pubchem16721,acmc-209nd6 PubChem CID: 579425 IUPAC Name: methyl 3-(4-fluorophenyl)-3-oxopropanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)F
| PubChem CID | 579425 |
|---|---|
| CAS | 63131-29-3 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00000355 |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)F |
| Synonym | methyl 4-fluorobenzoylacetate,methyl 3-4-fluorophenyl-3-oxopropanoate,methyl p-fluorobenzoylacetate,4-fluorobenzoylacetic acid methyl ester,methyl 4'-fluorobenzoylacetate,3-4-fluoro-phenyl-3-oxo-propionic acid methyl ester,benzenepropanoic acid, 4-fluoro-beta-oxo-, methyl ester,benzenepropanoic acid, 4-fluoro-.beta.-oxo-, methyl ester,pubchem16721,acmc-209nd6 |
| IUPAC Name | methyl 3-(4-fluorophenyl)-3-oxopropanoate |
| InChI Key | HGLVYXXPRSNKQN-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
3-Fluorosalicylaldehyde, 98%
CAS: 394-50-3 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00003319 InChI Key: NWDHTEIVMDYWQJ-UHFFFAOYSA-N Synonym: 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde PubChem CID: 587788 IUPAC Name: 3-fluoro-2-hydroxybenzaldehyde SMILES: OC1=C(C=O)C=CC=C1F
| PubChem CID | 587788 |
|---|---|
| CAS | 394-50-3 |
| Molecular Weight (g/mol) | 140.11 |
| MDL Number | MFCD00003319 |
| SMILES | OC1=C(C=O)C=CC=C1F |
| Synonym | 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde |
| IUPAC Name | 3-fluoro-2-hydroxybenzaldehyde |
| InChI Key | NWDHTEIVMDYWQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |