Organooxygen compounds
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Isatin 98.0+%, TCI America™
CAS: 91-56-5 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
| PubChem CID | 7054 |
|---|---|
| CAS | 91-56-5 |
| Molecular Weight (g/mol) | 147.133 |
| ChEBI | CHEBI:27539 |
| MDL Number | MFCD00005718 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| Synonym | isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam |
| IUPAC Name | 1H-indole-2,3-dione |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
Butyl 2-Chloroethyl Ether 98.0+%, TCI America™
CAS: 10503-96-5 Molecular Formula: C6H13ClO Molecular Weight (g/mol): 136.62 MDL Number: MFCD00059051 InChI Key: OJMVRGXLTANFRG-UHFFFAOYSA-N Synonym: 2-Chloroethyl Butyl Ether PubChem CID: 545871 IUPAC Name: 1-(2-chloroethoxy)butane SMILES: CCCCOCCCl
| PubChem CID | 545871 |
|---|---|
| CAS | 10503-96-5 |
| Molecular Weight (g/mol) | 136.62 |
| MDL Number | MFCD00059051 |
| SMILES | CCCCOCCCl |
| Synonym | 2-Chloroethyl Butyl Ether |
| IUPAC Name | 1-(2-chloroethoxy)butane |
| InChI Key | OJMVRGXLTANFRG-UHFFFAOYSA-N |
| Molecular Formula | C6H13ClO |
2'-Acetoxyacetophenone 98.0+%, TCI America™
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: 2-acetylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | 2-acetylphenyl acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Methylionone (mixture of alpha- and beta-, predominantly alpha-n-isomer) 80.0+%, TCI America™
CAS: 7779-30-8 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00031478 InChI Key: VPKMGDRERYMTJX-CMDGGOBGSA-N PubChem CID: 5371084 IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one SMILES: CCC(=O)C=CC1C(=CCCC1(C)C)C
| PubChem CID | 5371084 |
|---|---|
| CAS | 7779-30-8 |
| Molecular Weight (g/mol) | 206.329 |
| MDL Number | MFCD00031478 |
| SMILES | CCC(=O)C=CC1C(=CCCC1(C)C)C |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| InChI Key | VPKMGDRERYMTJX-CMDGGOBGSA-N |
| Molecular Formula | C14H22O |
Methoxymethyltrimethylsilane 95.0+%, TCI America™
CAS: 14704-14-4 Molecular Formula: C5H14OSi Molecular Weight (g/mol): 118.25 MDL Number: MFCD00009843 InChI Key: PPNQXAYCPNTVHH-UHFFFAOYSA-N Synonym: Trimethylsilylmethyl Methyl Ether PubChem CID: 139809 IUPAC Name: (methoxymethyl)trimethylsilane SMILES: COC[Si](C)(C)C
| PubChem CID | 139809 |
|---|---|
| CAS | 14704-14-4 |
| Molecular Weight (g/mol) | 118.25 |
| MDL Number | MFCD00009843 |
| SMILES | COC[Si](C)(C)C |
| Synonym | Trimethylsilylmethyl Methyl Ether |
| IUPAC Name | (methoxymethyl)trimethylsilane |
| InChI Key | PPNQXAYCPNTVHH-UHFFFAOYSA-N |
| Molecular Formula | C5H14OSi |
3',4'-Dichloropropiophenone 98.0+%, TCI America™
CAS: 6582-42-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000554 InChI Key: AJUAASWQUWIMHM-UHFFFAOYSA-N Synonym: 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # PubChem CID: 599598 IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 599598 |
|---|---|
| CAS | 6582-42-9 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000554 |
| SMILES | CC(=O)CC1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # |
| IUPAC Name | 1-(3,4-dichlorophenyl)propan-2-one |
| InChI Key | AJUAASWQUWIMHM-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
1-(4-Bromophenyl)-1,3-butanedione 98.0+%, TCI America™
CAS: 4023-81-8 Molecular Formula: C10H9BrO2 Molecular Weight (g/mol): 241.08 MDL Number: MFCD04619579 InChI Key: HPMLNAUGJOJXLT-POHAHGRESA-N Synonym: (4-Bromobenzoyl)acetone PubChem CID: 432653 IUPAC Name: (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one SMILES: CC(=O)\C=C(/O)C1=CC=C(Br)C=C1
| PubChem CID | 432653 |
|---|---|
| CAS | 4023-81-8 |
| Molecular Weight (g/mol) | 241.08 |
| MDL Number | MFCD04619579 |
| SMILES | CC(=O)\C=C(/O)C1=CC=C(Br)C=C1 |
| Synonym | (4-Bromobenzoyl)acetone |
| IUPAC Name | (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one |
| InChI Key | HPMLNAUGJOJXLT-POHAHGRESA-N |
| Molecular Formula | C10H9BrO2 |
Polyethylene Glycol Monostearate (n=approx. 25) (palmitate and stearate mixture), TCI America™
CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
4-Chromanone 98.0+%, TCI America™
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Ethyl Isobutyrylacetate 95.0+%, TCI America™
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
| PubChem CID | 23546919 |
|---|---|
| CAS | 762262-09-9 |
| MDL Number | MFCD07368877 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-methoxypyridin-4-yl)boronic acid |
| InChI Key | DHQMUJSACXTPEA-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
6-Fluorochromone-3-carboxaldehyde 98.0+%, TCI America™
CAS: 69155-76-6 Molecular Formula: C10H5FO3 Molecular Weight (g/mol): 192.15 MDL Number: MFCD00139060 InChI Key: VHRMOTNEBIKURN-UHFFFAOYSA-N Synonym: 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde PubChem CID: 688893 IUPAC Name: 6-fluoro-4-oxo-4H-chromene-3-carbaldehyde SMILES: FC1=CC=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 688893 |
|---|---|
| CAS | 69155-76-6 |
| Molecular Weight (g/mol) | 192.15 |
| MDL Number | MFCD00139060 |
| SMILES | FC1=CC=C2OC=C(C=O)C(=O)C2=C1 |
| Synonym | 6-fluoro-3-formylchromone,6-fluoro-4-oxo-4h-chromene-3-carbaldehyde,6-fluorochromone-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6-fluoro-4-oxo,chembl87768,6-fluoro-4-oxo-chromene-3-carbaldehyde,4h-1-benzopyran-3-carboxaldehyde,6-fluoro-4-oxo,acmc-20alyx,3-formyl-6-fluorochromone,6-fluorochromone-3-carbaldehyde |
| IUPAC Name | 6-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| InChI Key | VHRMOTNEBIKURN-UHFFFAOYSA-N |
| Molecular Formula | C10H5FO3 |
2-Hydroxyethyl Methyl Sulfone 98.0+%, TCI America™
CAS: 15205-66-0 Molecular Formula: C3H8O3S Molecular Weight (g/mol): 124.154 MDL Number: MFCD00014747 InChI Key: KFTYFTKODBWKOU-UHFFFAOYSA-N Synonym: 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol PubChem CID: 84834 IUPAC Name: 2-methylsulfonylethanol SMILES: CS(=O)(=O)CCO
| PubChem CID | 84834 |
|---|---|
| CAS | 15205-66-0 |
| Molecular Weight (g/mol) | 124.154 |
| MDL Number | MFCD00014747 |
| SMILES | CS(=O)(=O)CCO |
| Synonym | 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol |
| IUPAC Name | 2-methylsulfonylethanol |
| InChI Key | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| Molecular Formula | C3H8O3S |
3-(4-Bromobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 6340-79-0 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00016563 InChI Key: ZODFRCZNTXLDDW-UHFFFAOYSA-N Synonym: 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid PubChem CID: 80646 IUPAC Name: 4-(4-bromophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 80646 |
|---|---|
| CAS | 6340-79-0 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00016563 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid |
| IUPAC Name | 4-(4-bromophenyl)-4-oxobutanoic acid |
| InChI Key | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |