Organooxygen compounds
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2-Methoxyethanol, 99%
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:46790 |
| MDL Number | MFCD00002867 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
2-(2-Ethoxyethoxy)ethanol, BAKER™, J.T. Baker™
CAS: 111-90-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.175 InChI Key: XXJWXESWEXIICW-UHFFFAOYSA-N Synonym: diethylene glycol monoethyl ether,2-2-ethoxyethoxy ethanol,carbitol,transcutol,ethoxy diglycol,dioxitol,ethyl carbitol,ethyl digol,carbitol solvent,ethanol, 2-2-ethoxyethoxy PubChem CID: 8146 ChEBI: CHEBI:40572 IUPAC Name: 2-(2-ethoxyethoxy)ethanol SMILES: CCOCCOCCO
| PubChem CID | 8146 |
|---|---|
| CAS | 111-90-0 |
| Molecular Weight (g/mol) | 134.175 |
| ChEBI | CHEBI:40572 |
| SMILES | CCOCCOCCO |
| Synonym | diethylene glycol monoethyl ether,2-2-ethoxyethoxy ethanol,carbitol,transcutol,ethoxy diglycol,dioxitol,ethyl carbitol,ethyl digol,carbitol solvent,ethanol, 2-2-ethoxyethoxy |
| IUPAC Name | 2-(2-ethoxyethoxy)ethanol |
| InChI Key | XXJWXESWEXIICW-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
2'-Hydroxyacetophenone, 99%
CAS: 118-93-4 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Synonym: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O
| PubChem CID | 8375 |
|---|---|
| CAS | 118-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002219 |
| SMILES | CC(=O)C1=CC=CC=C1O |
| Synonym | 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone |
| IUPAC Name | 1-(2-hydroxyphenyl)ethanone |
| InChI Key | JECYUBVRTQDVAT-UHFFFAOYSA-N |
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 |
5,6-Dimethoxy-1-indanone, 97%
CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00003790 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00003790 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
5'-Bromo-2'-hydroxy-3'-nitroacetophenone, 97%
CAS: 70978-54-0 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD01631134 InChI Key: CLNIBJASCGZXHH-UHFFFAOYSA-N PubChem CID: 689071 IUPAC Name: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O
| PubChem CID | 689071 |
|---|---|
| CAS | 70978-54-0 |
| Molecular Weight (g/mol) | 260.04 |
| MDL Number | MFCD01631134 |
| SMILES | CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O |
| IUPAC Name | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one |
| InChI Key | CLNIBJASCGZXHH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
1,1,1-Trifluoro-2-butanone, 96%
CAS: 381-88-4 Molecular Formula: C4H5F3O Molecular Weight (g/mol): 126.08 MDL Number: MFCD00190641 InChI Key: QBVHMPFSDVNFAY-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone PubChem CID: 238288 IUPAC Name: 1,1,1-trifluorobutan-2-one SMILES: CCC(=O)C(F)(F)F
| PubChem CID | 238288 |
|---|---|
| CAS | 381-88-4 |
| Molecular Weight (g/mol) | 126.08 |
| MDL Number | MFCD00190641 |
| SMILES | CCC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone |
| IUPAC Name | 1,1,1-trifluorobutan-2-one |
| InChI Key | QBVHMPFSDVNFAY-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3O |
2-Chlorocyclohexanone, 97%, stab. with calcium carbonate/magnesium oxide
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
Dimethyl malonate, 99+%
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
| PubChem CID | 7943 |
|---|---|
| CAS | 108-59-8 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00008460 |
| SMILES | COC(=O)CC(=O)OC |
| Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
| IUPAC Name | dimethyl propanedioate |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
1-Benzo[b]thiophen-3-yl-2-bromoethan-1-one, 97%, Thermo Scientific™
CAS: 26167-45-3 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.129 InChI Key: CKHWNGWAHFLCTJ-UHFFFAOYSA-N Synonym: 1-benzo b thiophen-3-yl-2-bromoethanone,1-benzo b thiophen-3-yl-2-bromoethan-1-one,3-bromoacetyl benzothiophene,1-1-benzothiophen-3-yl-2-bromoethan-1-one,3-bromoacetyl benzo b thiophene,1-1-benzothiophen-3-yl-2-bromoethanone,1-1-benzothiophen-3-yl-2-bromo-1-ethanone,3-2-bromoacetyl benzo b thiophen,1-benzothiophen-3-yl-2-bromo-ethanone,ethanone,1-benzo b thien-3-yl-2-bromo PubChem CID: 2776341 IUPAC Name: 1-(1-benzothiophen-3-yl)-2-bromoethanone SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)CBr
| PubChem CID | 2776341 |
|---|---|
| CAS | 26167-45-3 |
| Molecular Weight (g/mol) | 255.129 |
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)CBr |
| Synonym | 1-benzo b thiophen-3-yl-2-bromoethanone,1-benzo b thiophen-3-yl-2-bromoethan-1-one,3-bromoacetyl benzothiophene,1-1-benzothiophen-3-yl-2-bromoethan-1-one,3-bromoacetyl benzo b thiophene,1-1-benzothiophen-3-yl-2-bromoethanone,1-1-benzothiophen-3-yl-2-bromo-1-ethanone,3-2-bromoacetyl benzo b thiophen,1-benzothiophen-3-yl-2-bromo-ethanone,ethanone,1-benzo b thien-3-yl-2-bromo |
| IUPAC Name | 1-(1-benzothiophen-3-yl)-2-bromoethanone |
| InChI Key | CKHWNGWAHFLCTJ-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrOS |
5-Aminoindan-1-one, 97%, Thermo Scientific™
CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N
| PubChem CID | 312890 |
|---|---|
| CAS | 3470-54-0 |
| Molecular Weight (g/mol) | 147.177 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)N |
| Synonym | 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one |
| IUPAC Name | 5-amino-2,3-dihydroinden-1-one |
| InChI Key | HODOSJNSRPXYBH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
2-Bromo-1-(3-thienyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 1468-82-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.07 MDL Number: MFCD02677695 InChI Key: TXEJYUFJFSPCHH-UHFFFAOYSA-N PubChem CID: 2776379 SMILES: BrCC(=O)C1=CSC=C1
| PubChem CID | 2776379 |
|---|---|
| CAS | 1468-82-2 |
| Molecular Weight (g/mol) | 205.07 |
| MDL Number | MFCD02677695 |
| SMILES | BrCC(=O)C1=CSC=C1 |
| InChI Key | TXEJYUFJFSPCHH-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
1-(4-Bromophenyl)-2-hydroxyethan-1-one, Thermo Scientific™
CAS: 3343-45-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00174275 InChI Key: FGROGLJVXNYNQC-UHFFFAOYSA-N Synonym: 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol PubChem CID: 520633 IUPAC Name: 1-(4-bromophenyl)-2-hydroxyethanone SMILES: C1=CC(=CC=C1C(=O)CO)Br
| PubChem CID | 520633 |
|---|---|
| CAS | 3343-45-1 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00174275 |
| SMILES | C1=CC(=CC=C1C(=O)CO)Br |
| Synonym | 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol |
| IUPAC Name | 1-(4-bromophenyl)-2-hydroxyethanone |
| InChI Key | FGROGLJVXNYNQC-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one, Technical Grade, Thermo Scientific™
CAS: 22019-49-4 Molecular Formula: C8H5BrClNO3 Molecular Weight (g/mol): 278.486 InChI Key: FXNQTMRPLLNPQY-UHFFFAOYSA-N PubChem CID: 2778330 IUPAC Name: 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl
| PubChem CID | 2778330 |
|---|---|
| CAS | 22019-49-4 |
| Molecular Weight (g/mol) | 278.486 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl |
| IUPAC Name | 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone |
| InChI Key | FXNQTMRPLLNPQY-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrClNO3 |