Organooxygen compounds
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2-(Trifluoromethyl)pyridine-5-carboxaldehyde, 95%
CAS: 386704-12-7 Molecular Formula: C7H4F3NO Molecular Weight (g/mol): 175.11 MDL Number: MFCD01862647 InChI Key: MRPAGRCGPAXOGS-UHFFFAOYSA-N Synonym: 6-trifluoromethyl pyridine-3-carboxaldehyde,6-trifluoromethyl nicotinaldehyde,2-trifluoromethyl pyridine-5-carboxaldehyde,6-trifluoromethyl pyridine-3-carbaldehyde,5-formyl-2-trifluoromethyl pyridine,3-pyridinecarboxaldehyde, 6-trifluoromethyl,6-trifluoromethyl-pyridine-3-carbaldehyde,6-trifluoromethyl-3-pyridinecarboxaldehyde,2-trifluoromethyl pyridine-5-carbaldehyde,pubchem15866 PubChem CID: 2777762 IUPAC Name: 6-(trifluoromethyl)pyridine-3-carbaldehyde SMILES: FC(F)(F)C1=NC=C(C=O)C=C1
| PubChem CID | 2777762 |
|---|---|
| CAS | 386704-12-7 |
| Molecular Weight (g/mol) | 175.11 |
| MDL Number | MFCD01862647 |
| SMILES | FC(F)(F)C1=NC=C(C=O)C=C1 |
| Synonym | 6-trifluoromethyl pyridine-3-carboxaldehyde,6-trifluoromethyl nicotinaldehyde,2-trifluoromethyl pyridine-5-carboxaldehyde,6-trifluoromethyl pyridine-3-carbaldehyde,5-formyl-2-trifluoromethyl pyridine,3-pyridinecarboxaldehyde, 6-trifluoromethyl,6-trifluoromethyl-pyridine-3-carbaldehyde,6-trifluoromethyl-3-pyridinecarboxaldehyde,2-trifluoromethyl pyridine-5-carbaldehyde,pubchem15866 |
| IUPAC Name | 6-(trifluoromethyl)pyridine-3-carbaldehyde |
| InChI Key | MRPAGRCGPAXOGS-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO |
3-Benzoylpropionic acid, 98%
CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1
| PubChem CID | 72871 |
|---|---|
| CAS | 2051-95-8 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:64437 |
| MDL Number | MFCD00002792 |
| SMILES | OC(=O)CCC(=O)C1=CC=CC=C1 |
| Synonym | 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid |
| IUPAC Name | 4-oxo-4-phenylbutanoic acid |
| InChI Key | KMQLIDDEQAJAGJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Cyclopentanol, 99%
CAS: 96-41-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00001363 InChI Key: XCIXKGXIYUWCLL-UHFFFAOYSA-N Synonym: hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol PubChem CID: 7298 ChEBI: CHEBI:16133 IUPAC Name: cyclopentanol SMILES: C1CCC(C1)O
| PubChem CID | 7298 |
|---|---|
| CAS | 96-41-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16133 |
| MDL Number | MFCD00001363 |
| SMILES | C1CCC(C1)O |
| Synonym | hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol |
| IUPAC Name | cyclopentanol |
| InChI Key | XCIXKGXIYUWCLL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Chlorocyclohexanone, 95%, stabilized
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 |
2-Ethoxyethyl Acetate, 99%, Spectrum™ Chemical
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CAS: 111-15-9
| CAS | 111-15-9 |
|---|
2-Ethoxyethanol, Spectrum™ Chemical
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CAS: 110-80-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 InChI Key: ZNQVEEAIQZEUHB-UHFFFAOYSA-N IUPAC Name: 2-ethoxyethan-1-ol SMILES: CCOCCO
| CAS | 110-80-5 |
|---|---|
| Molecular Weight (g/mol) | 90.12 |
| SMILES | CCOCCO |
| IUPAC Name | 2-ethoxyethan-1-ol |
| InChI Key | ZNQVEEAIQZEUHB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
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 |
Thermo Scientific Chemicals Emodin, 95%, tech.
CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.23 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
| PubChem CID | 3220 |
|---|---|
| CAS | 518-82-1 |
| Molecular Weight (g/mol) | 270.23 |
| ChEBI | CHEBI:42223 |
| MDL Number | MFCD00001207 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
| Synonym | emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Malonyl dichloride, 97%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
| PubChem CID | 74269 |
|---|---|
| CAS | 1663-67-8 |
| Molecular Weight (g/mol) | 140.95 |
| MDL Number | MFCD00000735 |
| SMILES | C(C(=O)Cl)C(=O)Cl |
| Synonym | malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride |
| IUPAC Name | propanedioyl dichloride |
| InChI Key | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| Molecular Formula | C3H2Cl2O2 |
1-Octadecanol, 95%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.5 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
| PubChem CID | 8221 |
|---|---|
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.5 |
| ChEBI | CHEBI:32154 |
| MDL Number | MFCD00002823 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| Molecular Formula | C18H38O |
3-Methyl-1-butanol, 98%, pure, mixture of Isomers
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
| PubChem CID | 31260 |
|---|---|
| CAS | 123-51-3 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:15837 |
| MDL Number | MFCD00002934 |
| SMILES | CC(C)CCO |
| Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
| IUPAC Name | 3-methylbutan-1-ol |
| InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
2-Bromo-4'-chloroacetophenone, 98+%
CAS: 536-38-9 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.49 MDL Number: MFCD00000625 InChI Key: FLAYZKKEOIAALB-UHFFFAOYSA-N Synonym: 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone PubChem CID: 68303 IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Cl
| PubChem CID | 68303 |
|---|---|
| CAS | 536-38-9 |
| Molecular Weight (g/mol) | 233.49 |
| MDL Number | MFCD00000625 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone |
| IUPAC Name | 2-bromo-1-(4-chlorophenyl)ethanone |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
1,3-Dichloroacetone, 96%
CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl
| PubChem CID | 10793 |
|---|---|
| CAS | 534-07-6 |
| Molecular Weight (g/mol) | 126.96 |
| MDL Number | MFCD00000937 |
| SMILES | ClCC(=O)CCl |
| Synonym | 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone |
| IUPAC Name | 1,3-dichloropropan-2-one |
| InChI Key | SUNMBRGCANLOEG-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O |
2-Bromo-4'-fluoroacetophenone, 98%
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00040830 InChI Key: ZJFWCELATJMDNO-UHFFFAOYSA-N Synonym: 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone PubChem CID: 96749 IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)F
| PubChem CID | 96749 |
|---|---|
| CAS | 403-29-2 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00040830 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)F |
| Synonym | 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone |
| IUPAC Name | 2-bromo-1-(4-fluorophenyl)ethanone |
| InChI Key | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3,4-Dichlorobenzaldehyde, 98%
CAS: 6287-38-3 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00003351 InChI Key: ZWUSBSHBFFPRNE-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 PubChem CID: 22710 IUPAC Name: 3,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
| PubChem CID | 22710 |
|---|---|
| CAS | 6287-38-3 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00003351 |
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| Synonym | benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 |
| IUPAC Name | 3,4-dichlorobenzaldehyde |
| InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |