Organooxygen compounds
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(+/-)-1-Phenylethanol, 97%
CAS: 98-85-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004508 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYSA-N Synonym: methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene PubChem CID: 7409 ChEBI: CHEBI:669 IUPAC Name: 1-phenylethanol SMILES: CC(C1=CC=CC=C1)O
| PubChem CID | 7409 |
|---|---|
| CAS | 98-85-1 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:669 |
| MDL Number | MFCD00004508 |
| SMILES | CC(C1=CC=CC=C1)O |
| Synonym | methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene |
| IUPAC Name | 1-phenylethanol |
| InChI Key | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
1,1,1,5,5,5-Hexafluoroacetylacetone, 99%
CAS: 1522-22-1 Molecular Formula: C5H2F6O2 Molecular Weight (g/mol): 208.06 InChI Key: QAMFBRUWYYMMGJ-UHFFFAOYSA-N Synonym: hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane PubChem CID: 73706 IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
| PubChem CID | 73706 |
|---|---|
| CAS | 1522-22-1 |
| Molecular Weight (g/mol) | 208.06 |
| SMILES | C(C(=O)C(F)(F)F)C(=O)C(F)(F)F |
| Synonym | hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoroacetylacetone,1,1,1,5,5,5-hexafluoro-2,4-pentanedione,2,4-pentanedione, 1,1,1,5,5,5-hexafluoro,hexafluoro-2,4-pentanedione,hfac,1,1,1,5,5,5-hexafluoro-2,4-pentadione,1,3-bis trifluoromethyl propane-1,3-dione,1,1,1-trifluoro-3-trifluoroacetyl acetone,2,4-dioxo-1,1,1,5,5,5-hexafluoropentane |
| IUPAC Name | 1,1,1,5,5,5-hexafluoropentane-2,4-dione |
| InChI Key | QAMFBRUWYYMMGJ-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6O2 |
5-Bromo-2-(trifluoromethoxy)benzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 923281-52-1 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD03701029 InChI Key: IBEWLWBZTHFCPI-UHFFFAOYSA-N Synonym: 5-bromo-2-trifluoromethoxy benzaldehyde,benzaldehyde, 5-bromo-2-trifluoromethoxy,acmc-209rfd,2-trifluoromethoxy-5-bromobenzaldehyde,4-bromo-2-formyl-alpha,alpha,alpha-trifluoroanisole PubChem CID: 26599201 IUPAC Name: 5-bromo-2-(trifluoromethoxy)benzaldehyde SMILES: FC(F)(F)OC1=C(C=O)C=C(Br)C=C1
| PubChem CID | 26599201 |
|---|---|
| CAS | 923281-52-1 |
| Molecular Weight (g/mol) | 269.02 |
| MDL Number | MFCD03701029 |
| SMILES | FC(F)(F)OC1=C(C=O)C=C(Br)C=C1 |
| Synonym | 5-bromo-2-trifluoromethoxy benzaldehyde,benzaldehyde, 5-bromo-2-trifluoromethoxy,acmc-209rfd,2-trifluoromethoxy-5-bromobenzaldehyde,4-bromo-2-formyl-alpha,alpha,alpha-trifluoroanisole |
| IUPAC Name | 5-bromo-2-(trifluoromethoxy)benzaldehyde |
| InChI Key | IBEWLWBZTHFCPI-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O2 |
1-Hydroxycyclohexyl phenyl ketone, 98%, Thermo Scientific Chemicals
CAS: 947-19-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00059561 InChI Key: QNODIIQQMGDSEF-UHFFFAOYSA-N Synonym: 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone PubChem CID: 70355 IUPAC Name: (1-hydroxycyclohexyl)-phenylmethanone SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)O
| PubChem CID | 70355 |
|---|---|
| CAS | 947-19-3 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00059561 |
| SMILES | C1CCC(CC1)(C(=O)C2=CC=CC=C2)O |
| Synonym | 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone |
| IUPAC Name | (1-hydroxycyclohexyl)-phenylmethanone |
| InChI Key | QNODIIQQMGDSEF-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
LiChropur™ 18-Crown-6, ≥99.0% (GC), MilliporeSigma™ Supelco™
MDL Number: MFCD00005113 Synonym: 1,4,7,10,13,16-Hexaoxacyclooctadecane
| MDL Number | MFCD00005113 |
|---|---|
| Synonym | 1,4,7,10,13,16-Hexaoxacyclooctadecane |
2-Hydroxyisobutyric acid, 98%
CAS: 594-61-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004459 InChI Key: BWLBGMIXKSTLSX-UHFFFAOYSA-N Synonym: 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid PubChem CID: 11671 ChEBI: CHEBI:50129 IUPAC Name: 2-hydroxy-2-methylpropanoic acid SMILES: CC(C)(O)C(O)=O
| PubChem CID | 11671 |
|---|---|
| CAS | 594-61-6 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:50129 |
| MDL Number | MFCD00004459 |
| SMILES | CC(C)(O)C(O)=O |
| Synonym | 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid |
| IUPAC Name | 2-hydroxy-2-methylpropanoic acid |
| InChI Key | BWLBGMIXKSTLSX-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
3-Bromo-1,1,1-trifluoroacetone, 97%
CAS: 431-35-6 Molecular Formula: C3H2BrF3O Molecular Weight (g/mol): 190.95 MDL Number: MFCD00039237 InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N Synonym: 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone PubChem CID: 79008 IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one SMILES: FC(F)(F)C(=O)CBr
| PubChem CID | 79008 |
|---|---|
| CAS | 431-35-6 |
| Molecular Weight (g/mol) | 190.95 |
| MDL Number | MFCD00039237 |
| SMILES | FC(F)(F)C(=O)CBr |
| Synonym | 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone |
| IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
| InChI Key | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| Molecular Formula | C3H2BrF3O |
5-Fluoroisatin, 98%
CAS: 443-69-6 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
6-Benzyloxyindole, 97%
CAS: 15903-94-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00053554 InChI Key: FPMICYBCFBLGOZ-UHFFFAOYSA-N Synonym: 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 PubChem CID: 260804 IUPAC Name: 6-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3
| PubChem CID | 260804 |
|---|---|
| CAS | 15903-94-3 |
| Molecular Weight (g/mol) | 223.275 |
| MDL Number | MFCD00053554 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3 |
| Synonym | 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 |
| IUPAC Name | 6-phenylmethoxy-1H-indole |
| InChI Key | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
4,4'-Diacetylbiphenyl, 98%
CAS: 787-69-9 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00017248 InChI Key: YSTSBXDVNKYPTR-UHFFFAOYSA-N Synonym: 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl PubChem CID: 301558 IUPAC Name: 1-[4-(4-acetylphenyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 301558 |
|---|---|
| CAS | 787-69-9 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00017248 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4,4'-diacetylbiphenyl,4,4'-diacetyl biphenyl,1-4-4-acetylphenyl phenyl ethanone,4,4-diacetylbiphenyl,1,1'-1,1'-biphenyl-4,4'-diyl diethanone,1-4'-acetyl 1,1'-biphenyl-4-yl ethanone,ethanone, 1,1'-1,1'-biphenyl-4,4'-diylbis,1-acetyl-4-4-acetylphenyl benzene,1-4'-acetyl-1,1'-biphenyl-4-yl ethanone,diacetyl biphenyl |
| IUPAC Name | 1-[4-(4-acetylphenyl)phenyl]ethanone |
| InChI Key | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
Ethyl trans-4-oxo-2-butenoate, 96%
CAS: 2960-66-9 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.127 MDL Number: MFCD00236170 InChI Key: SDGAEBKMHIPSAC-ONEGZZNKSA-N Synonym: ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate PubChem CID: 7019541 IUPAC Name: ethyl (E)-4-oxobut-2-enoate SMILES: CCOC(=O)C=CC=O
| PubChem CID | 7019541 |
|---|---|
| CAS | 2960-66-9 |
| Molecular Weight (g/mol) | 128.127 |
| MDL Number | MFCD00236170 |
| SMILES | CCOC(=O)C=CC=O |
| Synonym | ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate |
| IUPAC Name | ethyl (E)-4-oxobut-2-enoate |
| InChI Key | SDGAEBKMHIPSAC-ONEGZZNKSA-N |
| Molecular Formula | C6H8O3 |
3-Methyl-3-buten-1-ol, 97%
CAS: 763-32-6 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00002933 InChI Key: CPJRRXSHAYUTGL-UHFFFAOYSA-N Synonym: 3-methyl-3-buten-1-ol,isobutenylcarbinol,3-buten-1-ol, 3-methyl,isoprenol,methallylcarbinol,3-isopentenyl alcohol,2-methyl-1-buten-4-ol,isopropenylethyl alcohol,methallyl carbinol,3-methyl-3-butenol PubChem CID: 12988 ChEBI: CHEBI:62898 IUPAC Name: 3-methylbut-3-en-1-ol SMILES: CC(=C)CCO
| PubChem CID | 12988 |
|---|---|
| CAS | 763-32-6 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:62898 |
| MDL Number | MFCD00002933 |
| SMILES | CC(=C)CCO |
| Synonym | 3-methyl-3-buten-1-ol,isobutenylcarbinol,3-buten-1-ol, 3-methyl,isoprenol,methallylcarbinol,3-isopentenyl alcohol,2-methyl-1-buten-4-ol,isopropenylethyl alcohol,methallyl carbinol,3-methyl-3-butenol |
| IUPAC Name | 3-methylbut-3-en-1-ol |
| InChI Key | CPJRRXSHAYUTGL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
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 |
3-Bromo-2-butanone, 97%, stab. with <1% magnesium oxide
CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.003 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br
| PubChem CID | 13142 |
|---|---|
| CAS | 814-75-5 |
| Molecular Weight (g/mol) | 151.003 |
| MDL Number | MFCD00013538 |
| SMILES | CC(C(=O)C)Br |
| Synonym | 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on |
| IUPAC Name | 3-bromobutan-2-one |
| InChI Key | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |