Organooxygen compounds
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2,2',4'-Trichloroacetophenone, 97%
CAS: 4252-78-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000934 InChI Key: VYWPPRLJNVHPEU-UHFFFAOYSA-N Synonym: 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one PubChem CID: 20250 IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CCl
| PubChem CID | 20250 |
|---|---|
| CAS | 4252-78-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000934 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| Synonym | 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one |
| IUPAC Name | 2-chloro-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
2-Aminoacetophenone hydrochloride, 96%
CAS: 5468-37-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00012873 InChI Key: CVXGFPPAIUELDV-UHFFFAOYSA-N Synonym: 2-aminoacetophenone hydrochloride,2-amino-1-phenylethanone hydrochloride,phenacylamine hydrochloride,2-aminoacetophenone hcl,2-aminoacetophenonehydrochloride,2-amino-1-phenylethan-1-one hydrochloride,alpha-aminoacetophenone hydrochloride,2-aminoacetophenonehcl,ethanone, 2-amino-1-phenyl-, hydrochloride,omega-aminoacetophenone hydrochloride PubChem CID: 2723597 IUPAC Name: 2-amino-1-phenylethanone;hydrochloride SMILES: Cl.NCC(=O)C1=CC=CC=C1
| PubChem CID | 2723597 |
|---|---|
| CAS | 5468-37-1 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00012873 |
| SMILES | Cl.NCC(=O)C1=CC=CC=C1 |
| Synonym | 2-aminoacetophenone hydrochloride,2-amino-1-phenylethanone hydrochloride,phenacylamine hydrochloride,2-aminoacetophenone hcl,2-aminoacetophenonehydrochloride,2-amino-1-phenylethan-1-one hydrochloride,alpha-aminoacetophenone hydrochloride,2-aminoacetophenonehcl,ethanone, 2-amino-1-phenyl-, hydrochloride,omega-aminoacetophenone hydrochloride |
| IUPAC Name | 2-amino-1-phenylethanone;hydrochloride |
| InChI Key | CVXGFPPAIUELDV-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
2,3-Hexanedione, 94%
CAS: 3848-24-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009398 InChI Key: MWVFCEVNXHTDNF-UHFFFAOYSA-N Synonym: 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs PubChem CID: 19707 ChEBI: CHEBI:87583 IUPAC Name: hexane-2,3-dione SMILES: CCCC(=O)C(C)=O
| PubChem CID | 19707 |
|---|---|
| CAS | 3848-24-6 |
| Molecular Weight (g/mol) | 114.14 |
| ChEBI | CHEBI:87583 |
| MDL Number | MFCD00009398 |
| SMILES | CCCC(=O)C(C)=O |
| Synonym | 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs |
| IUPAC Name | hexane-2,3-dione |
| InChI Key | MWVFCEVNXHTDNF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one, Technical Grade, Thermo Scientific™
CAS: 22019-49-4 Molecular Formula: C8H5BrClNO3 Molecular Weight (g/mol): 278.486 InChI Key: FXNQTMRPLLNPQY-UHFFFAOYSA-N PubChem CID: 2778330 IUPAC Name: 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl
| PubChem CID | 2778330 |
|---|---|
| CAS | 22019-49-4 |
| Molecular Weight (g/mol) | 278.486 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl |
| IUPAC Name | 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone |
| InChI Key | FXNQTMRPLLNPQY-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrClNO3 |
1,8-Dihydroxyanthraquinone, 95%
CAS: 117-10-2 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001211 InChI Key: QBPFLULOKWLNNW-UHFFFAOYSA-N Synonym: danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan PubChem CID: 2950 ChEBI: CHEBI:3682 IUPAC Name: 1,8-dihydroxyanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
| PubChem CID | 2950 |
|---|---|
| CAS | 117-10-2 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:3682 |
| MDL Number | MFCD00001211 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| Synonym | danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan |
| IUPAC Name | 1,8-dihydroxyanthracene-9,10-dione |
| InChI Key | QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
4'-Fluoroacetophenone, 99%
CAS: 403-42-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000354 InChI Key: ZDPAWHACYDRYIW-UHFFFAOYSA-N Synonym: 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene PubChem CID: 9828 IUPAC Name: 1-(4-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1
| PubChem CID | 9828 |
|---|---|
| CAS | 403-42-9 |
| Molecular Weight (g/mol) | 138.14 |
| MDL Number | MFCD00000354 |
| SMILES | CC(=O)C1=CC=C(F)C=C1 |
| Synonym | 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene |
| IUPAC Name | 1-(4-fluorophenyl)ethanone |
| InChI Key | ZDPAWHACYDRYIW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
5,6-Dimethoxy-1-indanone, 97%
CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00003790 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00003790 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
3',5'-Difluoroacetophenone, 97%
CAS: 123577-99-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00042489 InChI Key: OXJLDNSPGPBDCP-UHFFFAOYSA-N Synonym: 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone PubChem CID: 518596 SMILES: CC(=O)C1=CC(F)=CC(F)=C1
| PubChem CID | 518596 |
|---|---|
| CAS | 123577-99-1 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00042489 |
| SMILES | CC(=O)C1=CC(F)=CC(F)=C1 |
| Synonym | 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone |
| InChI Key | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
N-Phenacylpyridinium bromide, 97%, Thermo Scientific™
CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.15 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
| PubChem CID | 2798954 |
|---|---|
| CAS | 16883-69-5 |
| Molecular Weight (g/mol) | 278.15 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| Synonym | 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChI Key | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| Molecular Formula | C13H12BrNO |
2,4-Pentanedione, Reagent, 99%, Spectrum™ Chemical
CAS: 123-54-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008787 InChI Key: YRKCREAYFQTBPV-UHFFFAOYSA-N IUPAC Name: pentane-2,4-dione SMILES: CC(=O)CC(C)=O
| CAS | 123-54-6 |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008787 |
| SMILES | CC(=O)CC(C)=O |
| IUPAC Name | pentane-2,4-dione |
| InChI Key | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
3'-Chloroacetophenone, 98%
CAS: 99-02-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000593 InChI Key: UUWJBXKHMMQDED-UHFFFAOYSA-N Synonym: 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone PubChem CID: 14933 IUPAC Name: 1-(3-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 14933 |
|---|---|
| CAS | 99-02-5 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000593 |
| SMILES | CC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone |
| IUPAC Name | 1-(3-chlorophenyl)ethanone |
| InChI Key | UUWJBXKHMMQDED-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
3,3'-Dimethoxybenzil, 99+%
CAS: 40101-17-5 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00038221 InChI Key: PJGXOGKIVAJFTE-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzil,1,2-bis 3-methoxyphenyl ethane-1,2-dione,ethanedione, bis 3-methoxyphenyl,1,2-ethanedione, 1,2-bis 3-methoxyphenyl,bis 3-methoxyphenyl ethane-1,2-dione,bis 3-methoxyphenyl ethanedione,acmc-20a2cz,3,3'-dimethoxy benzil,d01vau,benzil-based compound, 22 PubChem CID: 123493 IUPAC Name: 1,2-bis(3-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC
| PubChem CID | 123493 |
|---|---|
| CAS | 40101-17-5 |
| Molecular Weight (g/mol) | 270.284 |
| MDL Number | MFCD00038221 |
| SMILES | COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC |
| Synonym | 3,3'-dimethoxybenzil,1,2-bis 3-methoxyphenyl ethane-1,2-dione,ethanedione, bis 3-methoxyphenyl,1,2-ethanedione, 1,2-bis 3-methoxyphenyl,bis 3-methoxyphenyl ethane-1,2-dione,bis 3-methoxyphenyl ethanedione,acmc-20a2cz,3,3'-dimethoxy benzil,d01vau,benzil-based compound, 22 |
| IUPAC Name | 1,2-bis(3-methoxyphenyl)ethane-1,2-dione |
| InChI Key | PJGXOGKIVAJFTE-UHFFFAOYSA-N |
| Molecular Formula | C16H14O4 |
3-Acetylbenzonitrile, 97+%
CAS: 6136-68-1 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001806 InChI Key: SBCFGFDAZCTSRH-UHFFFAOYSA-N Synonym: m-cyanoacetophenone,3'-cyanoacetophenone,benzonitrile, 3-acetyl,3-cyanoacetophenone,3-acetyl-benzonitrile,unii-tsj72034p9,3-acetylbenzenecarbonitrile,m-acetylbenzonitrile,3-acetyl benzonitrile,pubchem12649 PubChem CID: 80222 IUPAC Name: 3-acetylbenzonitrile SMILES: CC(=O)C1=CC=CC(=C1)C#N
| PubChem CID | 80222 |
|---|---|
| CAS | 6136-68-1 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD00001806 |
| SMILES | CC(=O)C1=CC=CC(=C1)C#N |
| Synonym | m-cyanoacetophenone,3'-cyanoacetophenone,benzonitrile, 3-acetyl,3-cyanoacetophenone,3-acetyl-benzonitrile,unii-tsj72034p9,3-acetylbenzenecarbonitrile,m-acetylbenzonitrile,3-acetyl benzonitrile,pubchem12649 |
| IUPAC Name | 3-acetylbenzonitrile |
| InChI Key | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2',5'-Dimethylacetophenone, 97%
CAS: 2142-73-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00014988 InChI Key: AWKBVLVKQQRRFQ-UHFFFAOYSA-N Synonym: 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone PubChem CID: 75061 IUPAC Name: 1-(2,5-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C)C(=O)C
| PubChem CID | 75061 |
|---|---|
| CAS | 2142-73-6 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00014988 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C |
| Synonym | 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone |
| IUPAC Name | 1-(2,5-dimethylphenyl)ethanone |
| InChI Key | AWKBVLVKQQRRFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Phenylglyoxal monohydrate, 97%
CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 99611 |
|---|---|
| CAS | 1075-06-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00149499 |
| SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
| IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
| InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |