Organooxygen compounds
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3-Bromo-2-butanone, 95%, stabilized
CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 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 |
| 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 |
2-Chloro-5,5-dimethyl-1,3-cyclohexanedione, 98%
CAS: 7298-89-7 Molecular Formula: C8H11ClO2 Molecular Weight (g/mol): 174.624 MDL Number: MFCD00010502 InChI Key: VOBIHUAWDXUCPH-UHFFFAOYSA-N Synonym: chlorodimedone,2-chlorodimedone,monochlorodimedone,2-chloro-5,5-dimethyl-1,3-cyclohexanedione,1,1-dimethyl-4-chloro-3,5-cyclohexanedione,1,3-cyclohexanedione, 2-chloro-5,5-dimethyl,monochlorodimedon PubChem CID: 122278 IUPAC Name: 2-chloro-5,5-dimethylcyclohexane-1,3-dione SMILES: CC1(CC(=O)C(C(=O)C1)Cl)C
| PubChem CID | 122278 |
|---|---|
| CAS | 7298-89-7 |
| Molecular Weight (g/mol) | 174.624 |
| MDL Number | MFCD00010502 |
| SMILES | CC1(CC(=O)C(C(=O)C1)Cl)C |
| Synonym | chlorodimedone,2-chlorodimedone,monochlorodimedone,2-chloro-5,5-dimethyl-1,3-cyclohexanedione,1,1-dimethyl-4-chloro-3,5-cyclohexanedione,1,3-cyclohexanedione, 2-chloro-5,5-dimethyl,monochlorodimedon |
| IUPAC Name | 2-chloro-5,5-dimethylcyclohexane-1,3-dione |
| InChI Key | VOBIHUAWDXUCPH-UHFFFAOYSA-N |
| Molecular Formula | C8H11ClO2 |
| CAS | 4441-12-7 |
|---|---|
| MDL Number | MFCD00047406 |
Dexpanthenol, USP, 98-102%, Spectrum™ Chemical
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CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| CAS | 81-13-0 |
|---|---|
| Molecular Weight (g/mol) | 205.25 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
Di-tert-butyl malonate, 98%
CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 68324 |
|---|---|
| CAS | 541-16-2 |
| MDL Number | MFCD00008810 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| Synonym | di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate |
| IUPAC Name | ditert-butyl propanedioate |
| InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 852054-42-3 Molecular Formula: C7H5BrO3S Molecular Weight (g/mol): 249.078 MDL Number: MFCD08690306 InChI Key: YEKBJVHBVICUOZ-UHFFFAOYSA-N Synonym: 7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,2,3-dihydro-7-bromothieno 3,4-b 1,4 dioxin-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,7-bromo-2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde,7-bromo-2,3-dihydro PubChem CID: 11391008 IUPAC Name: 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde SMILES: C1COC2=C(SC(=C2O1)C=O)Br
| PubChem CID | 11391008 |
|---|---|
| CAS | 852054-42-3 |
| Molecular Weight (g/mol) | 249.078 |
| MDL Number | MFCD08690306 |
| SMILES | C1COC2=C(SC(=C2O1)C=O)Br |
| Synonym | 7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,2,3-dihydro-7-bromothieno 3,4-b 1,4 dioxin-5-carbaldehyde,7-bromo-2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,7-bromo-2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde,7-bromo-2,3-dihydro |
| IUPAC Name | 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde |
| InChI Key | YEKBJVHBVICUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO3S |
(S)-(+)-Phenyl-1,2-ethanediol, 97%
CAS: 25779-13-9 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00066256 InChI Key: PWMWNFMRSKOCEY-MRVPVSSYSA-N Synonym: s-+-1-phenyl-1,2-ethanediol,s-1-phenylethane-1,2-diol,1s-1-phenylethane-1,2-diol,s-+-1-phenylethane-1,2-diol,s-1-phenyl-1,2-ethanediol,unii-8ib2t1ft6b,8ib2t1ft6b,1,2-ethanediol, 1-phenyl-, 1s,styrene glycol, +,r---phenylethylene glycol PubChem CID: 643312 IUPAC Name: (1S)-1-phenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(CO)O
| PubChem CID | 643312 |
|---|---|
| CAS | 25779-13-9 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00066256 |
| SMILES | C1=CC=C(C=C1)C(CO)O |
| Synonym | s-+-1-phenyl-1,2-ethanediol,s-1-phenylethane-1,2-diol,1s-1-phenylethane-1,2-diol,s-+-1-phenylethane-1,2-diol,s-1-phenyl-1,2-ethanediol,unii-8ib2t1ft6b,8ib2t1ft6b,1,2-ethanediol, 1-phenyl-, 1s,styrene glycol, +,r---phenylethylene glycol |
| IUPAC Name | (1S)-1-phenylethane-1,2-diol |
| InChI Key | PWMWNFMRSKOCEY-MRVPVSSYSA-N |
| Molecular Formula | C8H10O2 |
4'-tert-Butylacetophenone, 98%
CAS: 943-27-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00017256 InChI Key: UYFJYGWNYQCHOB-UHFFFAOYSA-N Synonym: 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone PubChem CID: 13669 IUPAC Name: 1-(4-tert-butylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 13669 |
|---|---|
| CAS | 943-27-1 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00017256 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone |
| IUPAC Name | 1-(4-tert-butylphenyl)ethanone |
| InChI Key | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
Ethyl Vanillin, NF, 98-101%, Spectrum™ Chemical
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CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| CAS | 121-32-4 |
|---|---|
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-Bromo-4-pyridinecarboxaldehyde, 97%
CAS: 70201-43-3 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186 InChI Key: NOBDKWLIAQKADB-UHFFFAOYSA-N Synonym: 3-bromoisonicotinaldehyde,3-bromo-4-pyridinecarboxaldehyde,3-bromopyridine-4-carboxaldehyde,3-bromo-4-formylpyridine,3-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 3-bromo,3-bromo-4-pyridincarbaldehyde,bromoisonicotinaldehyde,pubchem5063,acmc-1blzq PubChem CID: 2762997 IUPAC Name: 3-bromopyridine-4-carbaldehyde SMILES: C1=CN=CC(=C1C=O)Br
| PubChem CID | 2762997 |
|---|---|
| CAS | 70201-43-3 |
| Molecular Weight (g/mol) | 186 |
| SMILES | C1=CN=CC(=C1C=O)Br |
| Synonym | 3-bromoisonicotinaldehyde,3-bromo-4-pyridinecarboxaldehyde,3-bromopyridine-4-carboxaldehyde,3-bromo-4-formylpyridine,3-bromo-4-pyridinecarbaldehyde,4-pyridinecarboxaldehyde, 3-bromo,3-bromo-4-pyridincarbaldehyde,bromoisonicotinaldehyde,pubchem5063,acmc-1blzq |
| IUPAC Name | 3-bromopyridine-4-carbaldehyde |
| InChI Key | NOBDKWLIAQKADB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Triethyl orthopropionate, 97%
CAS: 115-80-0 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009226 InChI Key: FGWYWKIOMUZSQF-UHFFFAOYSA-N Synonym: triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan PubChem CID: 66995 IUPAC Name: 1,1,1-triethoxypropane SMILES: CCOC(CC)(OCC)OCC
| PubChem CID | 66995 |
|---|---|
| CAS | 115-80-0 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009226 |
| SMILES | CCOC(CC)(OCC)OCC |
| Synonym | triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan |
| IUPAC Name | 1,1,1-triethoxypropane |
| InChI Key | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
| Molecular Formula | C9H20O3 |
1-Methoxy-2-butanol, Thermo Scientific Chemicals
CAS: 53778-73-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 InChI Key: CSZZMFWKAQEMPB-UHFFFAOYNA-N IUPAC Name: 1-methoxybutan-2-ol SMILES: CCC(O)COC
| CAS | 53778-73-7 |
|---|---|
| Molecular Weight (g/mol) | 104.15 |
| SMILES | CCC(O)COC |
| IUPAC Name | 1-methoxybutan-2-ol |
| InChI Key | CSZZMFWKAQEMPB-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
3-(4-Fluorobenzoyl)-1,1,1-trifluoroacetone, 97%
CAS: 582-65-0 Molecular Formula: C10H6F4O2 Molecular Weight (g/mol): 234.15 MDL Number: MFCD03419766 InChI Key: KEZLARPKXOHKJS-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-4-fluorophenyl butane-1,3-dione,4,4,4-trifluoro-1-4-fluorophenyl-1,3-butanedione,3-4-fluorobenzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-fluorophenyl,4,4,4-trifluoro-1-4-fluoro-phenyl-butane-1,3-dione,1-4'-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,tos-bb-0670,1-4-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,1-4-fluoro-phenyl-4,4,4-trifluoro-butane-1,3-dione PubChem CID: 2771476 IUPAC Name: 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione SMILES: FC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 2771476 |
|---|---|
| CAS | 582-65-0 |
| Molecular Weight (g/mol) | 234.15 |
| MDL Number | MFCD03419766 |
| SMILES | FC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-4-fluorophenyl butane-1,3-dione,4,4,4-trifluoro-1-4-fluorophenyl-1,3-butanedione,3-4-fluorobenzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-fluorophenyl,4,4,4-trifluoro-1-4-fluoro-phenyl-butane-1,3-dione,1-4'-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,tos-bb-0670,1-4-fluorophenyl-4,4,4-trifluoro-1,3-butanedione,1-4-fluoro-phenyl-4,4,4-trifluoro-butane-1,3-dione |
| IUPAC Name | 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione |
| InChI Key | KEZLARPKXOHKJS-UHFFFAOYSA-N |
| Molecular Formula | C10H6F4O2 |
3-Methylbenzo[b]thiophene-2-carboxaldehyde, 98%
CAS: 22053-74-3 Molecular Formula: C10H8OS Molecular Weight (g/mol): 176.233 MDL Number: MFCD00052307 InChI Key: DRZGHNXLEQHVHB-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene-2-carboxaldehyde,3-methylbenzo b thiophene-2-carbaldehyde,3-methyl-benzo b thiophene-2-carbaldehyde,pubchem7453,acmc-20an0e,3-methylthianaphthene-2-carboxaldehyde,3-methyl-2-benzothiophenecarboxaldehyde,3-methyl benzo b thiophene-2-carbaldehyde,3-methylbenzo b thiophene-2 carboxaldehyde PubChem CID: 519918 IUPAC Name: 3-methyl-1-benzothiophene-2-carbaldehyde SMILES: CC1=C(SC2=CC=CC=C12)C=O
| PubChem CID | 519918 |
|---|---|
| CAS | 22053-74-3 |
| Molecular Weight (g/mol) | 176.233 |
| MDL Number | MFCD00052307 |
| SMILES | CC1=C(SC2=CC=CC=C12)C=O |
| Synonym | 3-methylbenzo b thiophene-2-carboxaldehyde,3-methylbenzo b thiophene-2-carbaldehyde,3-methyl-benzo b thiophene-2-carbaldehyde,pubchem7453,acmc-20an0e,3-methylthianaphthene-2-carboxaldehyde,3-methyl-2-benzothiophenecarboxaldehyde,3-methyl benzo b thiophene-2-carbaldehyde,3-methylbenzo b thiophene-2 carboxaldehyde |
| IUPAC Name | 3-methyl-1-benzothiophene-2-carbaldehyde |
| InChI Key | DRZGHNXLEQHVHB-UHFFFAOYSA-N |
| Molecular Formula | C10H8OS |
L-1-4'-Tosylamino-2-phenylethyl chloromethyl ketone, 99+%
CAS: 402-71-1 Molecular Formula: C17H18ClNO3S Molecular Weight (g/mol): 351.85 MDL Number: MFCD00000935 InChI Key: MQUQNUAYKLCRME-INIZCTEOSA-N Synonym: tpck,tos-phe-ch2cl,tosylphenylalanyl chloromethyl ketone,n-tosyl-l-phenylalanyl chloromethyl ketone,n-tosyl-l-phenylalanine chloromethyl ketone,n-p-tosyl-l-phenylalanine chloromethyl ketone,l-1-tosylamido-2-phenylethyl chloromethyl ketone,l-n-alpha-chloroacetyl phenethyl-p-toluenesulfonamide,tos-phe-chloromethylketone,chembl60718 PubChem CID: 439647 ChEBI: CHEBI:9642 IUPAC Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl
| PubChem CID | 439647 |
|---|---|
| CAS | 402-71-1 |
| Molecular Weight (g/mol) | 351.85 |
| ChEBI | CHEBI:9642 |
| MDL Number | MFCD00000935 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl |
| Synonym | tpck,tos-phe-ch2cl,tosylphenylalanyl chloromethyl ketone,n-tosyl-l-phenylalanyl chloromethyl ketone,n-tosyl-l-phenylalanine chloromethyl ketone,n-p-tosyl-l-phenylalanine chloromethyl ketone,l-1-tosylamido-2-phenylethyl chloromethyl ketone,l-n-alpha-chloroacetyl phenethyl-p-toluenesulfonamide,tos-phe-chloromethylketone,chembl60718 |
| IUPAC Name | N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide |
| InChI Key | MQUQNUAYKLCRME-INIZCTEOSA-N |
| Molecular Formula | C17H18ClNO3S |