Organooxygen compounds
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1-Amino-4-hydroxyanthraquinone, 96%
CAS: 116-85-8 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00001223 InChI Key: AQXYVFBSOOBBQV-UHFFFAOYSA-N Synonym: 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s PubChem CID: 8323 IUPAC Name: 1-amino-4-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N
| PubChem CID | 8323 |
|---|---|
| CAS | 116-85-8 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00001223 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N |
| Synonym | 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s |
| IUPAC Name | 1-amino-4-hydroxyanthracene-9,10-dione |
| InChI Key | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
2-Fluoro-4-hydroxybenzaldehyde, 97%
CAS: 348-27-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD06797918 InChI Key: ONRPXRPUBXXCCM-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,# PubChem CID: 587246 IUPAC Name: 2-fluoro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)F)C=O
| PubChem CID | 587246 |
|---|---|
| CAS | 348-27-6 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD06797918 |
| SMILES | C1=CC(=C(C=C1O)F)C=O |
| Synonym | 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,# |
| IUPAC Name | 2-fluoro-4-hydroxybenzaldehyde |
| InChI Key | ONRPXRPUBXXCCM-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
5-Nitroisatin, 98%
CAS: 611-09-6 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00005720 InChI Key: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonym: 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione PubChem CID: 4669250 IUPAC Name: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
| PubChem CID | 4669250 |
|---|---|
| CAS | 611-09-6 |
| Molecular Weight (g/mol) | 192.13 |
| MDL Number | MFCD00005720 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2 |
| Synonym | 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione |
| IUPAC Name | 5-nitro-1H-indole-2,3-dione |
| InChI Key | UNMYHYODJHKLOC-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O4 |
4-(3-Chloropropyl)morpholine, 95%
CAS: 7357-67-7 Molecular Formula: C7H14ClNO Molecular Weight (g/mol): 163.645 MDL Number: MFCD00039714 InChI Key: PIAZYBLGBSMNLX-UHFFFAOYSA-N Synonym: 4-3-chloropropyl morpholine,n-3-chloropropyl morpholine,morpholine, 4-3-chloropropyl,3-morpholinopropyl chloride,1-chloro-3-morpholinopropane,4-3-chloropropyl-morpholine,1-chloro-3-morpholin-4-yl propane,4-3-chloro-propyl-morpholine,morpholine, 4-3-chloropropyl-, hydrochloride PubChem CID: 95834 IUPAC Name: 4-(3-chloropropyl)morpholine SMILES: C1COCCN1CCCCl
| PubChem CID | 95834 |
|---|---|
| CAS | 7357-67-7 |
| Molecular Weight (g/mol) | 163.645 |
| MDL Number | MFCD00039714 |
| SMILES | C1COCCN1CCCCl |
| Synonym | 4-3-chloropropyl morpholine,n-3-chloropropyl morpholine,morpholine, 4-3-chloropropyl,3-morpholinopropyl chloride,1-chloro-3-morpholinopropane,4-3-chloropropyl-morpholine,1-chloro-3-morpholin-4-yl propane,4-3-chloro-propyl-morpholine,morpholine, 4-3-chloropropyl-, hydrochloride |
| IUPAC Name | 4-(3-chloropropyl)morpholine |
| InChI Key | PIAZYBLGBSMNLX-UHFFFAOYSA-N |
| Molecular Formula | C7H14ClNO |
6,7-Dihydrobenzo[b]thiophen-4-one, 98%
CAS: 13414-95-4 Molecular Formula: C8H8OS Molecular Weight (g/mol): 152.211 MDL Number: MFCD00005861 InChI Key: GJEKNELSXNSYAQ-UHFFFAOYSA-N Synonym: 6,7-dihydro-4-benzo b thiophenone,6,7-dihydro-5h-benzo b thiophen-4-one,6,7-dihydrobenzo b thiophen-4 5h-one,4-keto-4,5,6,7-tetrahydrothianaphthene,6,7-dihydrobenzo b thiophen-4-one,benzo b thiophen-4 5h-one, 6,7-dihydro,6,7-dihydro-1-benzothiophen-4 5h-one,4,5,6,7-tetrahydrothionaphthen-4-one,4-oxo-4,5,6,7-tetrahydrothianaphthene,4,5,6,7-tetrahydro-4-benzothiophenone PubChem CID: 83418 IUPAC Name: 6,7-dihydro-5H-1-benzothiophen-4-one SMILES: C1CC2=C(C=CS2)C(=O)C1
| PubChem CID | 83418 |
|---|---|
| CAS | 13414-95-4 |
| Molecular Weight (g/mol) | 152.211 |
| MDL Number | MFCD00005861 |
| SMILES | C1CC2=C(C=CS2)C(=O)C1 |
| Synonym | 6,7-dihydro-4-benzo b thiophenone,6,7-dihydro-5h-benzo b thiophen-4-one,6,7-dihydrobenzo b thiophen-4 5h-one,4-keto-4,5,6,7-tetrahydrothianaphthene,6,7-dihydrobenzo b thiophen-4-one,benzo b thiophen-4 5h-one, 6,7-dihydro,6,7-dihydro-1-benzothiophen-4 5h-one,4,5,6,7-tetrahydrothionaphthen-4-one,4-oxo-4,5,6,7-tetrahydrothianaphthene,4,5,6,7-tetrahydro-4-benzothiophenone |
| IUPAC Name | 6,7-dihydro-5H-1-benzothiophen-4-one |
| InChI Key | GJEKNELSXNSYAQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8OS |
Triethylene glycol dimethyl ether, 99%
CAS: 112-49-2 Molecular Formula: C8H18O4 Molecular Weight (g/mol): 178.228 MDL Number: MFCD00008504 InChI Key: YFNKIDBQEZZDLK-UHFFFAOYSA-N Synonym: triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 PubChem CID: 8189 ChEBI: CHEBI:44842 IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane SMILES: COCCOCCOCCOC
| PubChem CID | 8189 |
|---|---|
| CAS | 112-49-2 |
| Molecular Weight (g/mol) | 178.228 |
| ChEBI | CHEBI:44842 |
| MDL Number | MFCD00008504 |
| SMILES | COCCOCCOCCOC |
| Synonym | triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 |
| IUPAC Name | 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane |
| InChI Key | YFNKIDBQEZZDLK-UHFFFAOYSA-N |
| Molecular Formula | C8H18O4 |
2,2-Difluorocyclopropanemethanol, 97%
CAS: 509072-57-5 Molecular Formula: C4H6F2O Molecular Weight (g/mol): 108.088 MDL Number: MFCD06797748 InChI Key: XOLSMTBBIZDHSG-UHFFFAOYSA-N Synonym: 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro PubChem CID: 2761401 IUPAC Name: (2,2-difluorocyclopropyl)methanol SMILES: C1C(C1(F)F)CO
| PubChem CID | 2761401 |
|---|---|
| CAS | 509072-57-5 |
| Molecular Weight (g/mol) | 108.088 |
| MDL Number | MFCD06797748 |
| SMILES | C1C(C1(F)F)CO |
| Synonym | 2,2-difluorocyclopropyl methanol,2,2-difluorocyclopropanemethanol,2,2-difluorocyclopropyl-methanol, 97+%,soqdfiarbswxuup@,2,2-difluoro-cyclopropanemethanol,2,2-difluorocyclopropyl-methanol,2,2-difluoro-cyclopropyl-methanol,cyclopropanemethanol, 2,2-difluoro |
| IUPAC Name | (2,2-difluorocyclopropyl)methanol |
| InChI Key | XOLSMTBBIZDHSG-UHFFFAOYSA-N |
| Molecular Formula | C4H6F2O |
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde, ≥95%, Thermo Scientific™
CAS: 2199-58-8 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00111522 InChI Key: RDFZYUOHJBXMJA-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrrole-2-carboxaldehyde,3,5-dimethyl-1h-pyrrole-2-carboxaldehyde,1h-pyrrole-2-carboxaldehyde, 3,5-dimethyl,3,5-dimethyl-2-pyrrolecarboxaldehyde,pubchem2127,acmc-209fqe,ksc202o9r,3,5-dimethyl-2-formylpyrrol,2,4-dimethyl-5-formylpyrrole,2-formyl-3,5-dimethylpyrrole PubChem CID: 270465 IUPAC Name: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde SMILES: CC1=CC(=C(N1)C=O)C
| PubChem CID | 270465 |
|---|---|
| CAS | 2199-58-8 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD00111522 |
| SMILES | CC1=CC(=C(N1)C=O)C |
| Synonym | 3,5-dimethylpyrrole-2-carboxaldehyde,3,5-dimethyl-1h-pyrrole-2-carboxaldehyde,1h-pyrrole-2-carboxaldehyde, 3,5-dimethyl,3,5-dimethyl-2-pyrrolecarboxaldehyde,pubchem2127,acmc-209fqe,ksc202o9r,3,5-dimethyl-2-formylpyrrol,2,4-dimethyl-5-formylpyrrole,2-formyl-3,5-dimethylpyrrole |
| IUPAC Name | 3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
| InChI Key | RDFZYUOHJBXMJA-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
5-Chloro-2-hydroxy-3-methylbenzaldehyde, 95%, Thermo Scientific™
CAS: 23602-63-3 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00275687 InChI Key: NSKZAOKQZDLHGO-UHFFFAOYSA-N Synonym: benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde PubChem CID: 2774358 IUPAC Name: 5-chloro-2-hydroxy-3-methylbenzaldehyde SMILES: CC1=C(C(=CC(=C1)Cl)C=O)O
| PubChem CID | 2774358 |
|---|---|
| CAS | 23602-63-3 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00275687 |
| SMILES | CC1=C(C(=CC(=C1)Cl)C=O)O |
| Synonym | benzaldehyde, 5-chloro-2-hydroxy-3-methyl,acmc-20am4p,2-hydroxy-3-methyl-5-chlorobenzaldehyde,5-chloro-2-hydroxy-3-methyl-benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxy-3-methylbenzaldehyde |
| InChI Key | NSKZAOKQZDLHGO-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
4'-Fluoro-2'-methoxyacetophenone, 97%
CAS: 51788-80-8 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00061143 InChI Key: YOXBPWVWNQROBJ-UHFFFAOYSA-N Synonym: 1-4-fluoro-2-methoxyphenyl ethanone,4-fluoro-2-methoxyacetophenone,4'-fluoro-2'-methoxyacetophenone,1-4-fluoro-2-methoxyphenyl ethan-1-one,2'-methoxy-4'-fluoroacetophenone,1-4-fluoro-2-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-2-methoxybenzene,2-methoxy-4-fluoroacetophenone,4'-fluoro-2'-methoxyacetophenone,,pubchem13459 PubChem CID: 142887 IUPAC Name: 1-(4-fluoro-2-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)OC
| PubChem CID | 142887 |
|---|---|
| CAS | 51788-80-8 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00061143 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)OC |
| Synonym | 1-4-fluoro-2-methoxyphenyl ethanone,4-fluoro-2-methoxyacetophenone,4'-fluoro-2'-methoxyacetophenone,1-4-fluoro-2-methoxyphenyl ethan-1-one,2'-methoxy-4'-fluoroacetophenone,1-4-fluoro-2-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-2-methoxybenzene,2-methoxy-4-fluoroacetophenone,4'-fluoro-2'-methoxyacetophenone,,pubchem13459 |
| IUPAC Name | 1-(4-fluoro-2-methoxyphenyl)ethanone |
| InChI Key | YOXBPWVWNQROBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
5,6-Dimethoxybenzimidazole, 98%
CAS: 72721-02-9 Molecular Formula: C9H10N2O2 Molecular Weight (g/mol): 178.191 MDL Number: MFCD00612461 InChI Key: BTWUUHKQHOSMIN-UHFFFAOYSA-N PubChem CID: 601221 IUPAC Name: 5,6-dimethoxy-1H-benzimidazole SMILES: COC1=C(C=C2C(=C1)NC=N2)OC
| PubChem CID | 601221 |
|---|---|
| CAS | 72721-02-9 |
| Molecular Weight (g/mol) | 178.191 |
| MDL Number | MFCD00612461 |
| SMILES | COC1=C(C=C2C(=C1)NC=N2)OC |
| IUPAC Name | 5,6-dimethoxy-1H-benzimidazole |
| InChI Key | BTWUUHKQHOSMIN-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O2 |
2-Acetyl-5-bromothiophene, 99%
CAS: 5370-25-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 MDL Number: MFCD00014528 InChI Key: IGBZCOWXSCWSHO-UHFFFAOYSA-N Synonym: 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone PubChem CID: 79335 IUPAC Name: 1-(5-bromothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Br
| PubChem CID | 79335 |
|---|---|
| CAS | 5370-25-2 |
| Molecular Weight (g/mol) | 205.069 |
| MDL Number | MFCD00014528 |
| SMILES | CC(=O)C1=CC=C(S1)Br |
| Synonym | 2-acetyl-5-bromothiophene,1-5-bromothiophen-2-yl ethanone,ethanone, 1-5-bromo-2-thienyl,1-5-bromo-2-thienyl ethan-1-one,1-5-bromothiophen-2-yl ethan-1-one,5-bromo-2-thienyl methyl ketone,2-acetyl-5-bromo thiophene,ketone, 5-bromo-2-thienyl methyl,2-acetyl-5-bromo-thiophene,1-5-bromo-2-thienyl ethanone |
| IUPAC Name | 1-(5-bromothiophen-2-yl)ethanone |
| InChI Key | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
Triethyl orthopropionate, 97%
CAS: 115-80-0 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009226 InChI Key: FGWYWKIOMUZSQF-UHFFFAOYSA-N Synonym: triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan PubChem CID: 66995 IUPAC Name: 1,1,1-triethoxypropane SMILES: CCOC(CC)(OCC)OCC
| PubChem CID | 66995 |
|---|---|
| CAS | 115-80-0 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009226 |
| SMILES | CCOC(CC)(OCC)OCC |
| Synonym | triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan |
| IUPAC Name | 1,1,1-triethoxypropane |
| InChI Key | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
| Molecular Formula | C9H20O3 |
Benzyl acetoacetate, 97%
CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 142266 |
|---|---|
| CAS | 5396-89-4 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00008785 |
| SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChI Key | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Benzoylnitromethane, 98%
CAS: 614-21-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00010218 InChI Key: JTWHVBNYYWFXSI-UHFFFAOYSA-N Synonym: benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone PubChem CID: 94833 IUPAC Name: 2-nitro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
| PubChem CID | 94833 |
|---|---|
| CAS | 614-21-1 |
| Molecular Weight (g/mol) | 165.15 |
| MDL Number | MFCD00010218 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] |
| Synonym | benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone |
| IUPAC Name | 2-nitro-1-phenylethanone |
| InChI Key | JTWHVBNYYWFXSI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |