Organooxygen compounds
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2-Hydroxyacetophenone 98.0+%, TCI America™
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Benzoylacetonitrile 98.0+%, TCI America™
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
3-(Dicyanomethylidene)indan-1-one 98.0+%, TCI America™
CAS: 1080-74-6 Molecular Formula: C12H6N2O Molecular Weight (g/mol): 194.19 MDL Number: MFCD00143117 InChI Key: QNVKZKOSAXYVFZ-UHFFFAOYSA-N PubChem CID: 3293617 IUPAC Name: 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile SMILES: O=C1CC(=C(C#N)C#N)C2=CC=CC=C12
| PubChem CID | 3293617 |
|---|---|
| CAS | 1080-74-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00143117 |
| SMILES | O=C1CC(=C(C#N)C#N)C2=CC=CC=C12 |
| IUPAC Name | 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile |
| InChI Key | QNVKZKOSAXYVFZ-UHFFFAOYSA-N |
| Molecular Formula | C12H6N2O |
Hexadecanophenone 95.0+%, TCI America™
CAS: 6697-12-7 Molecular Formula: C22H36O Molecular Weight (g/mol): 316.53 MDL Number: MFCD00008997 InChI Key: IIOLAWJMOGLOIB-UHFFFAOYSA-N Synonym: Palmitophenone, Pentadecyl Phenyl Ketone PubChem CID: 81194 IUPAC Name: 1-phenylhexadecan-1-one SMILES: CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 81194 |
|---|---|
| CAS | 6697-12-7 |
| Molecular Weight (g/mol) | 316.53 |
| MDL Number | MFCD00008997 |
| SMILES | CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Palmitophenone, Pentadecyl Phenyl Ketone |
| IUPAC Name | 1-phenylhexadecan-1-one |
| InChI Key | IIOLAWJMOGLOIB-UHFFFAOYSA-N |
| Molecular Formula | C22H36O |
2',4',6'-Trimethylacetophenone 97.0+%, TCI America™
CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethan-1-one SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethan-1-one |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
4-Fluorobenzil 98.0+%, TCI America™
CAS: 3834-66-0 Molecular Formula: C14H9FO2 Molecular Weight (g/mol): 228.222 MDL Number: MFCD00223483 InChI Key: JKQPFVOJZNRINB-UHFFFAOYSA-N Synonym: 4-Fluorobibenzoyl, 4-Fluorodibenzoyl PubChem CID: 3625310 IUPAC Name: 1-(4-fluorophenyl)-2-phenylethane-1,2-dione SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)F
| PubChem CID | 3625310 |
|---|---|
| CAS | 3834-66-0 |
| Molecular Weight (g/mol) | 228.222 |
| MDL Number | MFCD00223483 |
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)F |
| Synonym | 4-Fluorobibenzoyl, 4-Fluorodibenzoyl |
| IUPAC Name | 1-(4-fluorophenyl)-2-phenylethane-1,2-dione |
| InChI Key | JKQPFVOJZNRINB-UHFFFAOYSA-N |
| Molecular Formula | C14H9FO2 |
Benzil 99.0+%, TCI America™
CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 8651 |
|---|---|
| CAS | 134-81-6 |
| Molecular Weight (g/mol) | 210.23 |
| ChEBI | CHEBI:51507 |
| MDL Number | MFCD00003080 |
| SMILES | O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon |
| IUPAC Name | diphenylethane-1,2-dione |
| InChI Key | WURBFLDFSFBTLW-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
5-Methylisatin 99.0+%, TCI America™
CAS: 608-05-9 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005721 InChI Key: VAJCSPZKMVQIAP-UHFFFAOYSA-N Synonym: 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione PubChem CID: 11840 IUPAC Name: 5-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 11840 |
|---|---|
| CAS | 608-05-9 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005721 |
| SMILES | CC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione |
| IUPAC Name | 5-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | VAJCSPZKMVQIAP-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
4'-Bromo-2'-fluoroacetophenone 98.0+%, TCI America™
CAS: 625446-22-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD03411551 InChI Key: ASKFCSCYGAFWAB-UHFFFAOYSA-N Synonym: 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j PubChem CID: 21938581 IUPAC Name: 1-(4-bromo-2-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Br)F
| PubChem CID | 21938581 |
|---|---|
| CAS | 625446-22-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD03411551 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Br)F |
| Synonym | 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)ethanone |
| InChI Key | ASKFCSCYGAFWAB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3'-Chloropropiophenone 98.0+%, TCI America™
CAS: 34841-35-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N Synonym: 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone PubChem CID: 587128 IUPAC Name: 1-(3-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 587128 |
|---|---|
| CAS | 34841-35-5 |
| Molecular Weight (g/mol) | 168.62 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Cl |
| Synonym | 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone |
| IUPAC Name | 1-(3-chlorophenyl)propan-1-one |
| InChI Key | PQWGFUFROKIJBO-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
5-Acetyl-2-chloropyridine 98.0+%, TCI America™
CAS: 55676-22-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD03407343 InChI Key: UXSNZYGTQTXRAD-UHFFFAOYSA-N Synonym: 1-6-chloropyridin-3-yl ethanone,2-chloro-5-acetylpyridine,3-acetyl-6-chloropyridine,5-acetyl-2-chloropyridine,1-6-chloropyridin-3-yl ethan-1-one,1-6-chloro-3-pyridinyl-1-ethanone,6-chloro-3-acetylpyridine,2-chloro-5-acetyl-pyridine,1-6-chloro-3-pyridinyl ethanone,1-6-chloro-pyridin-3-yl-ethanone PubChem CID: 2779698 IUPAC Name: 1-(6-chloropyridin-3-yl)ethan-1-one SMILES: CC(=O)C1=CN=C(Cl)C=C1
| PubChem CID | 2779698 |
|---|---|
| CAS | 55676-22-7 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD03407343 |
| SMILES | CC(=O)C1=CN=C(Cl)C=C1 |
| Synonym | 1-6-chloropyridin-3-yl ethanone,2-chloro-5-acetylpyridine,3-acetyl-6-chloropyridine,5-acetyl-2-chloropyridine,1-6-chloropyridin-3-yl ethan-1-one,1-6-chloro-3-pyridinyl-1-ethanone,6-chloro-3-acetylpyridine,2-chloro-5-acetyl-pyridine,1-6-chloro-3-pyridinyl ethanone,1-6-chloro-pyridin-3-yl-ethanone |
| IUPAC Name | 1-(6-chloropyridin-3-yl)ethan-1-one |
| InChI Key | UXSNZYGTQTXRAD-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
4'-Chloro-2'-hydroxyacetophenone 96.0+%, TCI America™
CAS: 6921-66-0 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00238557 InChI Key: QCVSDCHNBNFJDQ-UHFFFAOYSA-N PubChem CID: 1051513 IUPAC Name: 1-(4-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Cl)O
| PubChem CID | 1051513 |
|---|---|
| CAS | 6921-66-0 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00238557 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Cl)O |
| IUPAC Name | 1-(4-chloro-2-hydroxyphenyl)ethanone |
| InChI Key | QCVSDCHNBNFJDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
3'-Bromoacetophenone 98.0+%, TCI America™
CAS: 2142-63-4 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000083 InChI Key: JYAQYXOVOHJRCS-UHFFFAOYSA-N Synonym: 3'-bromoacetophenone,m-bromoacetophenone,1-3-bromophenyl ethanone,1-3-bromophenyl ethan-1-one,ethanone, 1-3-bromophenyl,1-acetyl-3-bromobenzene,3-bromoacetophenone,1-3-bromo-phenyl-ethanone,3-bromo acetophenone,acetophenone, 3'-bromo PubChem CID: 16502 IUPAC Name: 1-(3-bromophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 16502 |
|---|---|
| CAS | 2142-63-4 |
| Molecular Weight (g/mol) | 199.047 |
| MDL Number | MFCD00000083 |
| SMILES | CC(=O)C1=CC(=CC=C1)Br |
| Synonym | 3'-bromoacetophenone,m-bromoacetophenone,1-3-bromophenyl ethanone,1-3-bromophenyl ethan-1-one,ethanone, 1-3-bromophenyl,1-acetyl-3-bromobenzene,3-bromoacetophenone,1-3-bromo-phenyl-ethanone,3-bromo acetophenone,acetophenone, 3'-bromo |
| IUPAC Name | 1-(3-bromophenyl)ethanone |
| InChI Key | JYAQYXOVOHJRCS-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
1,11-Dioxa[11]paracyclophane 97.0+%, TCI America™
CAS: 6571-51-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.34 MDL Number: MFCD28100826 InChI Key: LTROLYACVISZRU-UHFFFAOYSA-N PubChem CID: 91972135 IUPAC Name: 2,12-dioxabicyclo[11.2.2]heptadeca-1(15),13,16-triene SMILES: C1CCCCOC2=CC=C(OCCCC1)C=C2
| PubChem CID | 91972135 |
|---|---|
| CAS | 6571-51-3 |
| Molecular Weight (g/mol) | 234.34 |
| MDL Number | MFCD28100826 |
| SMILES | C1CCCCOC2=CC=C(OCCCC1)C=C2 |
| IUPAC Name | 2,12-dioxabicyclo[11.2.2]heptadeca-1(15),13,16-triene |
| InChI Key | LTROLYACVISZRU-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
2-(2-Bromoethyl)-1,3-dioxolane 90.0+%, TCI America™
CAS: 18742-02-4 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00003216 InChI Key: GGZQLTVZPOGLCC-UHFFFAOYSA-N Synonym: 2-2-bromoethyl-1,3-dioxolane,1,3-dioxolane, 2-2-bromoethyl,bromoethyl-1,3-dioxolane,acmc-1bol0,2-2-bromoethyl-dioxolane,ksc496m8b,2-bromoethyl-1,3-dioxolane,2 2-bromoethyl-1,3-dioxolane,2-2-bromoethyl-1,3-dioxolan PubChem CID: 87776 IUPAC Name: 2-(2-bromoethyl)-1,3-dioxolane SMILES: BrCCC1OCCO1
| PubChem CID | 87776 |
|---|---|
| CAS | 18742-02-4 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00003216 |
| SMILES | BrCCC1OCCO1 |
| Synonym | 2-2-bromoethyl-1,3-dioxolane,1,3-dioxolane, 2-2-bromoethyl,bromoethyl-1,3-dioxolane,acmc-1bol0,2-2-bromoethyl-dioxolane,ksc496m8b,2-bromoethyl-1,3-dioxolane,2 2-bromoethyl-1,3-dioxolane,2-2-bromoethyl-1,3-dioxolan |
| IUPAC Name | 2-(2-bromoethyl)-1,3-dioxolane |
| InChI Key | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO2 |