Organooxygen compounds
Ethyl trifluoropyruvate, 97%
CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
3-Methyl-3-heptanol, 98%
CAS: 5582-82-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021841 InChI Key: PQOSNJHBSNZITJ-UHFFFAOYSA-N Synonym: 3-methyl-3-heptanol,3-heptanol, 3-methyl,2-ethyl-2-hexanol,butylethylmethylcarbinol,3-heptanol, 3-methyl-8ci 9ci,acmc-209lpn PubChem CID: 11710 IUPAC Name: 3-methylheptan-3-ol SMILES: CCCCC(C)(CC)O
Cyclopropyl 4-methoxyphenyl ketone, 98%
CAS: 7152-03-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD00001296 InChI Key: YKZSVEVTRUSPOQ-UHFFFAOYSA-N Synonym: cyclopropyl 4-methoxyphenyl methanone,cyclopropyl 4-methoxyphenyl ketone,methanone, cyclopropyl 4-methoxyphenyl,chembl82673,cyclopropyl-4-methoxyphenyl methanone,cyclopropyl-4-methoxy-phenyl-methanone,maybridge3_006117,4-methoxybenzoylcyclopropane,cyclopropyl p-anisyl ketone,methanone,cyclopropyl 4-methoxyphenyl PubChem CID: 81580 IUPAC Name: cyclopropyl-(4-methoxyphenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C2CC2
4'-Fluoroisobutyrophenone, 97%
CAS: 26393-91-9 Molecular Formula: C10H11FO Molecular Weight (g/mol): 166.20 MDL Number: MFCD04038305 InChI Key: MHUVRVXSYXJUPK-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl-2-methylpropan-1-one,4'-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-1-propanone,1-4-fluoro-phenyl-2-methyl-propan-1-one,1-propanone, 1-4-fluorophenyl-2-methyl,p-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-propan-1-one,acmc-1chy0,isopropyl p-fluorophenyl ketone,p-fluorophenyl isopropyl ketone PubChem CID: 2782829 IUPAC Name: 1-(4-fluorophenyl)-2-methylpropan-1-one SMILES: CC(C)C(=O)C1=CC=C(F)C=C1
3-(Methylthio)butyraldehyde, 95%
CAS: 16630-52-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00036622 InChI Key: NCBDFIPMWRKPDU-UHFFFAOYNA-N Synonym: 3-methylthio butanal,3-methylthio butyraldehyde,butanal, 3-methylthio,3-methylsulfanyl butanal,beta-methylthio butyraldehyde,fema no. 3374,butyraldehyde, 3-methylthio,potato butyraldehyde,3-methylthiobutyraldehyde,butanal,3-methylthio PubChem CID: 61845 IUPAC Name: 3-methylsulfanylbutanal SMILES: CSC(C)CC=O
Ethyl 2-hydroxyisobutyrate, 98%
CAS: 80-55-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004458 InChI Key: GFUIDHWFLMPAGY-UHFFFAOYSA-N Synonym: ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate PubChem CID: 6653 IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)O
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N Synonym: 7-bromo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin, 7-bromo-3,4-dihydro,acmc-1c5pl,7-bromo-2h,3h,4h-benzo b 1,4-dioxepin,7-bromo-3,4-dihydro-2h-1,5-benzodioxepin,2h-1,5-benzodioxepin,7-bromo-3,4-dihydro,7-bromo-3,4-dihydro-1,5-benzodioxepin PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
4-Phenyl-3-butyn-2-one, 98%
CAS: 1817-57-8 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 InChI Key: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonym: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one PubChem CID: 74555 ChEBI: CHEBI:51731 IUPAC Name: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1
Desyl chloride, 98%
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethanone SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Pyruvic aldehyde dimethyl acetal, 97+%
CAS: 6342-56-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00008758 InChI Key: ULVSHNOGEVXRDR-UHFFFAOYSA-N Synonym: 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal PubChem CID: 80650 IUPAC Name: 1,1-dimethoxypropan-2-one SMILES: CC(=O)C(OC)OC
5-Nitroisatin, 98%
CAS: 611-09-6 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00005720 InChI Key: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonym: 5-nitroisatin,5-nitroindoline-2,3-dione,5-nitroindole-2,3-dione,1h-indole-2,3-dione, 5-nitro,indole-2,3-dione, 5-nitro,isatin, 5-nitro,n-nitroisatin,ccris 4031,2,3-dihydro-5-nitroindole-2,3-dione,5-nitro-2,3-dihydro-1h-indole-2,3-dione PubChem CID: 4669250 IUPAC Name: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
Diethyl oxalacetate sodium salt, 95%
CAS: 40876-98-0 Molecular Formula: C8H11NaO5 Molecular Weight (g/mol): 210.161 MDL Number: MFCD00035571 InChI Key: UJZUICGIJODKOS-UHFFFAOYSA-M Synonym: diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n PubChem CID: 44134875 IUPAC Name: sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate SMILES: CCOC(=O)C=C(C(=O)OCC)[O-].[Na+]
Diethyl acetylsuccinate, 97+%
CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC
4-Methylmorpholine N-oxide, 50% w/w aq. soln.
CAS: 7529-22-8 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00005947 InChI Key: LFTLOKWAGJYHHR-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f PubChem CID: 82029 ChEBI: CHEBI:52093 SMILES: C[N+]1([O-])CCOCC1
3-Methoxypropylamine, 99%
CAS: 5332-73-0 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00014831 InChI Key: FAXDZWQIWUSWJH-UHFFFAOYSA-N Synonym: 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether PubChem CID: 1672 IUPAC Name: 3-methoxypropan-1-amine SMILES: COCCCN