Organooxygen compounds
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Methyl 3-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™
CAS: 93618-66-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216522 InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N Synonym: methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester PubChem CID: 735880 IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 735880 |
|---|---|
| CAS | 93618-66-7 |
| Molecular Weight (g/mol) | 246.19 |
| MDL Number | MFCD00216522 |
| SMILES | COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F |
| Synonym | methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester |
| IUPAC Name | methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate |
| InChI Key | RPRMYRPHNDGZOY-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O3 |
4'-Fluoro-3'-nitroacetophenone, 98%, Thermo Scientific™
CAS: 400-93-1 Molecular Formula: C8H6FNO3 Molecular Weight (g/mol): 183.14 MDL Number: MFCD00115369 InChI Key: PTCNZDJJIOLIKQ-UHFFFAOYSA-N Synonym: 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone PubChem CID: 2734612 IUPAC Name: 1-(4-fluoro-3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 2734612 |
|---|---|
| CAS | 400-93-1 |
| Molecular Weight (g/mol) | 183.14 |
| MDL Number | MFCD00115369 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone |
| IUPAC Name | 1-(4-fluoro-3-nitrophenyl)ethanone |
| InChI Key | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO3 |
2-Methoxypyridine-4-boronic acid, 95%
CAS: 762262-09-9 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD07368877 InChI Key: DHQMUJSACXTPEA-UHFFFAOYSA-N Synonym: 2-methoxypyridine-4-boronic acid,2-methoxypyridin-4-yl boronic acid,2-methoxypyridne-4-boronic acid,2-methoxy-4-pyridineboronic acid,2-methoxypyridin-4-yl-4-boronic acid,2-methoxy-4-pyridyl boronic acid,boronic acid, 2-methoxy-4-pyridinyl,2-methoxypyridne-4-boronicacid,pubchem17079,acmc-209p2b PubChem CID: 23546919 IUPAC Name: (2-methoxypyridin-4-yl)boronic acid SMILES: COC1=NC=CC(=C1)B(O)O
| PubChem CID | 23546919 |
|---|---|
| CAS | 762262-09-9 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD07368877 |
| SMILES | COC1=NC=CC(=C1)B(O)O |
| Synonym | 2-methoxypyridine-4-boronic acid,2-methoxypyridin-4-yl boronic acid,2-methoxypyridne-4-boronic acid,2-methoxy-4-pyridineboronic acid,2-methoxypyridin-4-yl-4-boronic acid,2-methoxy-4-pyridyl boronic acid,boronic acid, 2-methoxy-4-pyridinyl,2-methoxypyridne-4-boronicacid,pubchem17079,acmc-209p2b |
| IUPAC Name | (2-methoxypyridin-4-yl)boronic acid |
| InChI Key | DHQMUJSACXTPEA-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
Hematein
CAS: 475-25-2 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.27 MDL Number: MFCD00036187 InChI Key: HLUCICHZHWJHLL-UHFFFAOYNA-N Synonym: hematein,haematein,hematine,hydroxybrasilein,benz b indeno 1,2-d pyran-9 6h-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy,3,4,6a,10-tetrahydroxy-6,7-dihydroindeno 2,1-c chromen-9-one,3,4,6a,10-tetrahydroxy-6a,7-dihydrobenz b indeno 1,2-d pyran-9 6h-one,6a,7-dihydro-3,4,6a,10-tetrahydroxybenz b indeno 1,2-d pyran-9 6h-one,hematein,haematein,hydroxybrazilein,hydroxybrasilein,c.i.75290,hydroxybrazilein PubChem CID: 10138 IUPAC Name: 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one SMILES: OC1=CC=C2C3=C4C=C(O)C(=O)C=C4CC3(O)COC2=C1O
| PubChem CID | 10138 |
|---|---|
| CAS | 475-25-2 |
| Molecular Weight (g/mol) | 300.27 |
| MDL Number | MFCD00036187 |
| SMILES | OC1=CC=C2C3=C4C=C(O)C(=O)C=C4CC3(O)COC2=C1O |
| Synonym | hematein,haematein,hematine,hydroxybrasilein,benz b indeno 1,2-d pyran-9 6h-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy,3,4,6a,10-tetrahydroxy-6,7-dihydroindeno 2,1-c chromen-9-one,3,4,6a,10-tetrahydroxy-6a,7-dihydrobenz b indeno 1,2-d pyran-9 6h-one,6a,7-dihydro-3,4,6a,10-tetrahydroxybenz b indeno 1,2-d pyran-9 6h-one,hematein,haematein,hydroxybrazilein,hydroxybrasilein,c.i.75290,hydroxybrazilein |
| IUPAC Name | 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one |
| InChI Key | HLUCICHZHWJHLL-UHFFFAOYNA-N |
| Molecular Formula | C16H12O6 |
3,7-Dimethyl-3-octanol, 97+%
CAS: 78-69-3 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.28 MDL Number: MFCD00004482 InChI Key: DLHQZZUEERVIGQ-UHFFFAOYSA-N Synonym: tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 PubChem CID: 6548 ChEBI: CHEBI:84242 IUPAC Name: 3,7-dimethyloctan-3-ol SMILES: CCC(C)(CCCC(C)C)O
| PubChem CID | 6548 |
|---|---|
| CAS | 78-69-3 |
| Molecular Weight (g/mol) | 158.28 |
| ChEBI | CHEBI:84242 |
| MDL Number | MFCD00004482 |
| SMILES | CCC(C)(CCCC(C)C)O |
| Synonym | tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 |
| IUPAC Name | 3,7-dimethyloctan-3-ol |
| InChI Key | DLHQZZUEERVIGQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
1,3-Propanediol, 98%
CAS: 504-63-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00002949 InChI Key: YPFDHNVEDLHUCE-UHFFFAOYSA-N Synonym: 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol PubChem CID: 10442 ChEBI: CHEBI:16109 IUPAC Name: propane-1,3-diol SMILES: OCCCO
| PubChem CID | 10442 |
|---|---|
| CAS | 504-63-2 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:16109 |
| MDL Number | MFCD00002949 |
| SMILES | OCCCO |
| Synonym | 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol |
| IUPAC Name | propane-1,3-diol |
| InChI Key | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Trimethyl Orthoformate, 99%, Spectrum™ Chemical
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CAS: 149-73-5
| CAS | 149-73-5 |
|---|
Riboflavin, USP, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
Propylene Glycol, USP, 99.5%, Spectrum™ Chemical
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CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N IUPAC Name: propane-1,2-diol SMILES: CC(O)CO
| CAS | 57-55-6 |
|---|---|
| Molecular Weight (g/mol) | 76.10 |
| SMILES | CC(O)CO |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
2-Methyl-1-propanol, for HPLC
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:46645 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
2-Hydroxy-3-methylbenzaldehyde, 98%
CAS: 824-42-0 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00040798 InChI Key: IPPQNXSAJZOTJZ-UHFFFAOYSA-N Synonym: 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol PubChem CID: 522777 ChEBI: CHEBI:20110 IUPAC Name: 2-hydroxy-3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1O)C=O
| PubChem CID | 522777 |
|---|---|
| CAS | 824-42-0 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:20110 |
| MDL Number | MFCD00040798 |
| SMILES | CC1=CC=CC(=C1O)C=O |
| Synonym | 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol |
| IUPAC Name | 2-hydroxy-3-methylbenzaldehyde |
| InChI Key | IPPQNXSAJZOTJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4,4'-Bis(dimethylamino)benzil, 98%
CAS: 17078-27-2 Molecular Formula: C18H20N2O2 Molecular Weight (g/mol): 296.36 InChI Key: AVFUVYIDYFXFSX-UHFFFAOYSA-N Synonym: 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone PubChem CID: 222570 IUPAC Name: 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione SMILES: CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C
| PubChem CID | 222570 |
|---|---|
| CAS | 17078-27-2 |
| Molecular Weight (g/mol) | 296.36 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone |
| IUPAC Name | 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione |
| InChI Key | AVFUVYIDYFXFSX-UHFFFAOYSA-N |
| Molecular Formula | C18H20N2O2 |
3-Fluorosalicylaldehyde
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 |
6-Bromo-3-pyridinecarboxaldehyde, 95%
CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
| PubChem CID | 11769234 |
|---|---|
| CAS | 149806-06-4 |
| Molecular Weight (g/mol) | 186.01 |
| MDL Number | MFCD04115419 |
| SMILES | BrC1=CC=C(C=O)C=N1 |
| Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
| IUPAC Name | 6-bromopyridine-3-carbaldehyde |
| InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
2-Propoxyethanol, 98%, pure
CAS: 2807-30-9 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00072645 InChI Key: YEYKMVJDLWJFOA-UHFFFAOYSA-N Synonym: ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether PubChem CID: 17756 IUPAC Name: 2-propoxyethanol SMILES: CCCOCCO
| PubChem CID | 17756 |
|---|---|
| CAS | 2807-30-9 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00072645 |
| SMILES | CCCOCCO |
| Synonym | ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether |
| IUPAC Name | 2-propoxyethanol |
| InChI Key | YEYKMVJDLWJFOA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |