Organooxygen compounds
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Iron(III) 1,1,1-trifluoro 2,4-pentanedionate
CAS: 14526-22-8 Molecular Formula: C15H12F9FeO6 Molecular Weight (g/mol): 515.09 MDL Number: MFCD00017760 InChI Key: PDLKINIVWBCDRU-UHFFFAOYSA-N Synonym: ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate PubChem CID: 71299627 SMILES: [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F
| PubChem CID | 71299627 |
|---|---|
| CAS | 14526-22-8 |
| Molecular Weight (g/mol) | 515.09 |
| MDL Number | MFCD00017760 |
| SMILES | [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F |
| Synonym | ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate |
| InChI Key | PDLKINIVWBCDRU-UHFFFAOYSA-N |
| Molecular Formula | C15H12F9FeO6 |
5-Bromo-2-methoxypyridine, 97%
CAS: 13472-85-0 MDL Number: MFCD01318952 InChI Key: XADICJHFELMBGX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 PubChem CID: 2734895 IUPAC Name: 5-bromo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)Br
| PubChem CID | 2734895 |
|---|---|
| CAS | 13472-85-0 |
| MDL Number | MFCD01318952 |
| SMILES | COC1=NC=C(C=C1)Br |
| Synonym | 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 |
| IUPAC Name | 5-bromo-2-methoxypyridine |
| InChI Key | XADICJHFELMBGX-UHFFFAOYSA-N |
Octyl aldehyde, 99%
CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
| PubChem CID | 454 |
|---|---|
| CAS | 124-13-0 |
| Molecular Weight (g/mol) | 128.22 |
| ChEBI | CHEBI:17935 |
| MDL Number | MFCD00007029 |
| SMILES | CCCCCCCC=O |
| Synonym | caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal |
| IUPAC Name | octanal |
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
7-Methoxyindole, 97%
CAS: 3189-22-8 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00047203 InChI Key: FSOPPXYMWZOKRM-UHFFFAOYSA-N Synonym: 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi PubChem CID: 76660 IUPAC Name: 7-methoxy-1H-indole SMILES: COC1=CC=CC2=C1NC=C2
| PubChem CID | 76660 |
|---|---|
| CAS | 3189-22-8 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00047203 |
| SMILES | COC1=CC=CC2=C1NC=C2 |
| Synonym | 7-methoxyindole,7-methoxy indole,1h-indole, 7-methoxy,indole, 7-methoxy,methoxyindole 7-,unii-9r05qk9rp4,7-methoxy-indole,pubchem7434,acmc-209hpi |
| IUPAC Name | 7-methoxy-1H-indole |
| InChI Key | FSOPPXYMWZOKRM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
(R)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee), Thermo Scientific™
CAS: 27854-88-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00077865 InChI Key: HVOAMIOKNARIMR-ZCFIWIBFSA-N Synonym: r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol PubChem CID: 11804747 IUPAC Name: (1R)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O
| PubChem CID | 11804747 |
|---|---|
| CAS | 27854-88-2 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00077865 |
| SMILES | CC(C1=CC=NC=C1)O |
| Synonym | r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-4-ylethanol |
| InChI Key | HVOAMIOKNARIMR-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
2-Thien-2-ylpyrimidine-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 921939-12-0 Molecular Formula: C9H6N2OS Molecular Weight (g/mol): 190.22 MDL Number: MFCD09817553 InChI Key: DCIBDJAGZUQNKM-UHFFFAOYSA-N Synonym: 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde PubChem CID: 24229730 IUPAC Name: 2-thiophen-2-ylpyrimidine-5-carbaldehyde SMILES: C1=CSC(=C1)C2=NC=C(C=N2)C=O
| PubChem CID | 24229730 |
|---|---|
| CAS | 921939-12-0 |
| Molecular Weight (g/mol) | 190.22 |
| MDL Number | MFCD09817553 |
| SMILES | C1=CSC(=C1)C2=NC=C(C=N2)C=O |
| Synonym | 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-thiophen-2-ylpyrimidine-5-carbaldehyde |
| InChI Key | DCIBDJAGZUQNKM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2OS |
1,3-Cyclohexanediol, cis + trans, 98%
CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
| PubChem CID | 10433 |
|---|---|
| CAS | 504-01-8 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00039458 |
| SMILES | C1CC(CC(C1)O)O |
| Synonym | 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 |
| IUPAC Name | cyclohexane-1,3-diol |
| InChI Key | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-(4-Morpholinyl)propylamine, 98%
CAS: 123-00-2 Molecular Formula: C7H16N2O Molecular Weight (g/mol): 144.22 MDL Number: MFCD00006184 InChI Key: UIKUBYKUYUSRSM-UHFFFAOYSA-N Synonym: n-3-aminopropyl morpholine,4-morpholinepropanamine,3-morpholinopropylamine,3-morpholinopropan-1-amine,n-aminopropylmorpholine,4-3-aminopropyl morpholine,4-morpholinepropylamine,4-aminopropylmorpholine,1-amino-3-morpholinopropane,3-4-morpholinyl-1-propanamine PubChem CID: 61055 ChEBI: CHEBI:86554 IUPAC Name: 3-morpholin-4-ylpropan-1-amine SMILES: NCCCN1CCOCC1
| PubChem CID | 61055 |
|---|---|
| CAS | 123-00-2 |
| Molecular Weight (g/mol) | 144.22 |
| ChEBI | CHEBI:86554 |
| MDL Number | MFCD00006184 |
| SMILES | NCCCN1CCOCC1 |
| Synonym | n-3-aminopropyl morpholine,4-morpholinepropanamine,3-morpholinopropylamine,3-morpholinopropan-1-amine,n-aminopropylmorpholine,4-3-aminopropyl morpholine,4-morpholinepropylamine,4-aminopropylmorpholine,1-amino-3-morpholinopropane,3-4-morpholinyl-1-propanamine |
| IUPAC Name | 3-morpholin-4-ylpropan-1-amine |
| InChI Key | UIKUBYKUYUSRSM-UHFFFAOYSA-N |
| Molecular Formula | C7H16N2O |
Fluoroacetone, 97%
CAS: 430-51-3 Molecular Formula: C3H5FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF
| PubChem CID | 9889 |
|---|---|
| CAS | 430-51-3 |
| Molecular Weight (g/mol) | 76.06 |
| MDL Number | MFCD00000451 |
| SMILES | CC(=O)CF |
| Synonym | fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 |
| IUPAC Name | 1-fluoropropan-2-one |
| InChI Key | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| Molecular Formula | C3H5FO |
5-Chloro-1-pentanol, 95%
CAS: 5259-98-3 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.59 MDL Number: MFCD00039556 InChI Key: DCBJCKDOZLTTDW-UHFFFAOYSA-N Synonym: 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l PubChem CID: 78915 IUPAC Name: 5-chloropentan-1-ol SMILES: OCCCCCCl
| PubChem CID | 78915 |
|---|---|
| CAS | 5259-98-3 |
| Molecular Weight (g/mol) | 122.59 |
| MDL Number | MFCD00039556 |
| SMILES | OCCCCCCl |
| Synonym | 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l |
| IUPAC Name | 5-chloropentan-1-ol |
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
1,2-Dimethoxyethane, ≥99%, Reagent Grade, Inhibitor-free, Solstice
CAS: 110-71-4 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00008502 InChI Key: XTHFKEDIFFGKHM-UHFFFAOYSA-N Synonym: monoglyme,ethylene glycol dimethyl ether,glyme,dimethyl cellosolve,egdme,ethane, 1,2-dimethoxy,dimethoxyethane,2,5-dioxahexane,glycol dimethyl ether,ethylene dimethyl ether PubChem CID: 8071 ChEBI: CHEBI:42263 IUPAC Name: 1,2-dimethoxyethane SMILES: COCCOC
| PubChem CID | 8071 |
|---|---|
| CAS | 110-71-4 |
| Molecular Weight (g/mol) | 90.122 |
| ChEBI | CHEBI:42263 |
| MDL Number | MFCD00008502 |
| SMILES | COCCOC |
| Synonym | monoglyme,ethylene glycol dimethyl ether,glyme,dimethyl cellosolve,egdme,ethane, 1,2-dimethoxy,dimethoxyethane,2,5-dioxahexane,glycol dimethyl ether,ethylene dimethyl ether |
| IUPAC Name | 1,2-dimethoxyethane |
| InChI Key | XTHFKEDIFFGKHM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
5-Fluoro-1-indanone, 98%, Thermo Scientific™
CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
5-Norbornene-2-exo,3-exo-dimethanol, 97%
CAS: 699-95-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00799568 InChI Key: IGHHPVIMEQGKNE-ROVKLQMOSA-N Synonym: bicyclo 2.2.1 hept-5-ene-2-exo,3-exo-dimethanol PubChem CID: 73995587 IUPAC Name: [(1R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
| PubChem CID | 73995587 |
|---|---|
| CAS | 699-95-6 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00799568 |
| SMILES | C1C2C=CC1C(C2CO)CO |
| Synonym | bicyclo 2.2.1 hept-5-ene-2-exo,3-exo-dimethanol |
| IUPAC Name | [(1R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| InChI Key | IGHHPVIMEQGKNE-ROVKLQMOSA-N |
| Molecular Formula | C9H14O2 |
2-Bromo-2-phenylacetophenone, 97%
CAS: 1484-50-0 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000136 InChI Key: ZFFBIQMNKOJDJE-UHFFFAOYSA-N PubChem CID: 102630 IUPAC Name: 2-bromo-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
| PubChem CID | 102630 |
|---|---|
| CAS | 1484-50-0 |
| Molecular Weight (g/mol) | 275.13 |
| MDL Number | MFCD00000136 |
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br |
| IUPAC Name | 2-bromo-1,2-diphenylethanone |
| InChI Key | ZFFBIQMNKOJDJE-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
2-(2-Methoxyethoxy)ethanol, 99%
CAS: 111-77-3 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.15 MDL Number: MFCD00002871,MFCD00084416 InChI Key: SBASXUCJHJRPEV-UHFFFAOYSA-N Synonym: 2-2-methoxyethoxy ethanol,diethylene glycol monomethyl ether,methyl carbitol,methyl digol,methoxydiglycol,ethanol, 2-2-methoxyethoxy,methyl dioxitol,diethylene glycol methyl ether,dowanol dm,poly-solv dm PubChem CID: 8134 ChEBI: CHEBI:44836 IUPAC Name: 2-(2-methoxyethoxy)ethanol SMILES: COCCOCCO
| PubChem CID | 8134 |
|---|---|
| CAS | 111-77-3 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:44836 |
| MDL Number | MFCD00002871,MFCD00084416 |
| SMILES | COCCOCCO |
| Synonym | 2-2-methoxyethoxy ethanol,diethylene glycol monomethyl ether,methyl carbitol,methyl digol,methoxydiglycol,ethanol, 2-2-methoxyethoxy,methyl dioxitol,diethylene glycol methyl ether,dowanol dm,poly-solv dm |
| IUPAC Name | 2-(2-methoxyethoxy)ethanol |
| InChI Key | SBASXUCJHJRPEV-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |