Organooxygen compounds
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3,4-Dihydroxybenzaldehyde, 98%
CAS: 139-85-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00003370 InChI Key: IBGBGRVKPALMCQ-UHFFFAOYSA-N Synonym: protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t PubChem CID: 8768 ChEBI: CHEBI:50205 IUPAC Name: 3,4-dihydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)O)O
| PubChem CID | 8768 |
|---|---|
| CAS | 139-85-5 |
| Molecular Weight (g/mol) | 138.122 |
| ChEBI | CHEBI:50205 |
| MDL Number | MFCD00003370 |
| SMILES | C1=CC(=C(C=C1C=O)O)O |
| Synonym | protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t |
| IUPAC Name | 3,4-dihydroxybenzaldehyde |
| InChI Key | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
1,8-Dihydroxyanthraquinone, 95%
CAS: 117-10-2 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001211 InChI Key: QBPFLULOKWLNNW-UHFFFAOYSA-N Synonym: danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan PubChem CID: 2950 ChEBI: CHEBI:3682 IUPAC Name: 1,8-dihydroxyanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
| PubChem CID | 2950 |
|---|---|
| CAS | 117-10-2 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:3682 |
| MDL Number | MFCD00001211 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| Synonym | danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan |
| IUPAC Name | 1,8-dihydroxyanthracene-9,10-dione |
| InChI Key | QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
2-Hydroxy-4-methoxybenzaldehyde, 98%
CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
| PubChem CID | 69600 |
|---|---|
| CAS | 673-22-3 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00003327 |
| SMILES | COC1=CC=C(C=O)C(O)=C1 |
| Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
| IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
| InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Ethyl 4,4,4-trifluoroacetoacetate, 97%
CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.11 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F
| PubChem CID | 67793 |
|---|---|
| CAS | 372-31-6 |
| Molecular Weight (g/mol) | 184.11 |
| MDL Number | MFCD00000424 |
| SMILES | CCOC(=O)CC(=O)C(F)(F)F |
| Synonym | ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester |
| IUPAC Name | ethyl 4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
| Molecular Formula | C6H7F3O3 |
2-Bromo-4'-phenylacetophenone, 98%
CAS: 135-73-9 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000202 InChI Key: KGHGZRVXCKCJGX-UHFFFAOYSA-N Synonym: 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone PubChem CID: 67282 IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 67282 |
|---|---|
| CAS | 135-73-9 |
| Molecular Weight (g/mol) | 275.13 |
| MDL Number | MFCD00000202 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr |
| Synonym | 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone |
| IUPAC Name | 2-bromo-1-(4-phenylphenyl)ethanone |
| InChI Key | KGHGZRVXCKCJGX-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
6-Methoxyquinoline, 98%
CAS: 5263-87-6 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00006800 InChI Key: HFDLDPJYCIEXJP-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy,6-methoxy-quinoline,methyl 6-quinolyl ether,p-quinanisole,unii-5s1u3125ad,chembl15200,6-methoxy quinoline,pubchem5917,6-methoxyquinoline,acmc-209l0q PubChem CID: 14860 ChEBI: CHEBI:72822 IUPAC Name: 6-methoxyquinoline SMILES: COC1=CC2=C(C=C1)N=CC=C2
| PubChem CID | 14860 |
|---|---|
| CAS | 5263-87-6 |
| Molecular Weight (g/mol) | 159.19 |
| ChEBI | CHEBI:72822 |
| MDL Number | MFCD00006800 |
| SMILES | COC1=CC2=C(C=C1)N=CC=C2 |
| Synonym | quinoline, 6-methoxy,6-methoxy-quinoline,methyl 6-quinolyl ether,p-quinanisole,unii-5s1u3125ad,chembl15200,6-methoxy quinoline,pubchem5917,6-methoxyquinoline,acmc-209l0q |
| IUPAC Name | 6-methoxyquinoline |
| InChI Key | HFDLDPJYCIEXJP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
3-Buten-1-ol, 98+%
CAS: 627-27-0 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
1,1,1-Trifluoroacetone, 95%
CAS: 421-50-1 Molecular Formula: C3H3F3O Molecular Weight (g/mol): 112.05 InChI Key: FHUDAMLDXFJHJE-UHFFFAOYSA-N Synonym: 1,1,1-trifluoroacetone,trifluoroacetone,1,1,1-trifluoro-2-propanone,methyl trifluoromethyl ketone,2-propanone, 1,1,1-trifluoro,trifluoromethyl methyl ketone,3,3,3-trifluoroacetone,1,1,1,-trifluoroacetone,trifluoroketone,trifluoracetone PubChem CID: 9871 IUPAC Name: 1,1,1-trifluoropropan-2-one SMILES: CC(=O)C(F)(F)F
| PubChem CID | 9871 |
|---|---|
| CAS | 421-50-1 |
| Molecular Weight (g/mol) | 112.05 |
| SMILES | CC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoroacetone,trifluoroacetone,1,1,1-trifluoro-2-propanone,methyl trifluoromethyl ketone,2-propanone, 1,1,1-trifluoro,trifluoromethyl methyl ketone,3,3,3-trifluoroacetone,1,1,1,-trifluoroacetone,trifluoroketone,trifluoracetone |
| IUPAC Name | 1,1,1-trifluoropropan-2-one |
| InChI Key | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
| Molecular Formula | C3H3F3O |
1-Phenyl-1,2-ethanediol, 97%
CAS: 93-56-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00003546 InChI Key: PWMWNFMRSKOCEY-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-ethanediol,styrene glycol,phenylethylene glycol,phenylethanediol,phenyl glycol,1,2-ethanediol, 1-phenyl,phenyl-1,2-ethanediol,styrolyl alcohol,fenylglycol,1-phenylethylene glycol PubChem CID: 7149 IUPAC Name: 1-phenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(CO)O
| PubChem CID | 7149 |
|---|---|
| CAS | 93-56-1 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00003546 |
| SMILES | C1=CC=C(C=C1)C(CO)O |
| Synonym | 1-phenyl-1,2-ethanediol,styrene glycol,phenylethylene glycol,phenylethanediol,phenyl glycol,1,2-ethanediol, 1-phenyl,phenyl-1,2-ethanediol,styrolyl alcohol,fenylglycol,1-phenylethylene glycol |
| IUPAC Name | 1-phenylethane-1,2-diol |
| InChI Key | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Di-2-pyridyl ketone, 98%
CAS: 19437-26-4 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.2 MDL Number: MFCD00006288 InChI Key: QPOWUYJWCJRLEE-UHFFFAOYSA-N Synonym: di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone PubChem CID: 88065 IUPAC Name: dipyridin-2-ylmethanone SMILES: C1=CC=NC(=C1)C(=O)C2=CC=CC=N2
| PubChem CID | 88065 |
|---|---|
| CAS | 19437-26-4 |
| Molecular Weight (g/mol) | 184.2 |
| MDL Number | MFCD00006288 |
| SMILES | C1=CC=NC(=C1)C(=O)C2=CC=CC=N2 |
| Synonym | di-2-pyridyl ketone,di pyridin-2-yl methanone,bis 2-pyridyl ketone,2,2'-carbonyldipyridine,di 2-pyridyl ketone,methanone, di-2-pyridinyl,2,2'-dipyridyl ketone,2-pyridine-2-carbonyl pyridine,pyridyl ketone |
| IUPAC Name | dipyridin-2-ylmethanone |
| InChI Key | QPOWUYJWCJRLEE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
3-Hydroxybenzaldehyde, 97%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
2-Butoxyethyl Acetate, Spectrum™ Chemical
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CAS: 112-07-2 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.21 InChI Key: NQBXSWAWVZHKBZ-UHFFFAOYSA-N IUPAC Name: 2-butoxyethyl acetate SMILES: CCCCOCCOC(C)=O
| CAS | 112-07-2 |
|---|---|
| Molecular Weight (g/mol) | 160.21 |
| SMILES | CCCCOCCOC(C)=O |
| IUPAC Name | 2-butoxyethyl acetate |
| InChI Key | NQBXSWAWVZHKBZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
2-Furaldehyde, ACS, 98% min
CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
Diisopentyl ether, mixture of isomers, 96%
CAS: 544-01-4 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.285 MDL Number: MFCD00008947 InChI Key: AQZGPSLYZOOYQP-UHFFFAOYSA-N Synonym: diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane PubChem CID: 10989 IUPAC Name: 3-methyl-1-(3-methylbutoxy)butane SMILES: CC(C)CCOCCC(C)C
| PubChem CID | 10989 |
|---|---|
| CAS | 544-01-4 |
| Molecular Weight (g/mol) | 158.285 |
| MDL Number | MFCD00008947 |
| SMILES | CC(C)CCOCCC(C)C |
| Synonym | diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane |
| IUPAC Name | 3-methyl-1-(3-methylbutoxy)butane |
| InChI Key | AQZGPSLYZOOYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
2-Chloro-4-methoxypyrimidine, 98%
CAS: 22536-63-6 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00194055 InChI Key: BDXYNMVQMBCTDB-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine PubChem CID: 588935 IUPAC Name: 2-chloro-4-methoxypyrimidine SMILES: COC1=NC(=NC=C1)Cl
| PubChem CID | 588935 |
|---|---|
| CAS | 22536-63-6 |
| Molecular Weight (g/mol) | 144.56 |
| MDL Number | MFCD00194055 |
| SMILES | COC1=NC(=NC=C1)Cl |
| Synonym | 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine |
| IUPAC Name | 2-chloro-4-methoxypyrimidine |
| InChI Key | BDXYNMVQMBCTDB-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |