Organooxygen compounds
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DL-2-Methyl-1-butanol (Synthetic) 97.0+%, TCI America™
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CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
3-Chloro-2-methoxypyridine 97.0+%, TCI America™
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CAS: 13472-84-9 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD03095227 InChI Key: MSICGKUDCSUMJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine PubChem CID: 13295749 IUPAC Name: 3-chloro-2-methoxypyridine SMILES: COC1=C(C=CC=N1)Cl
| PubChem CID | 13295749 |
|---|---|
| CAS | 13472-84-9 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD03095227 |
| SMILES | COC1=C(C=CC=N1)Cl |
| Synonym | 3-chloro-2-methoxy-pyridine,pyridine, 3-chloro-2-methoxy,2-methoxy-3-chloropyridine,pubchem1189,acmc-1c0pw,ksc494g7h,3-chloranyl-2-methoxy-pyridine |
| IUPAC Name | 3-chloro-2-methoxypyridine |
| InChI Key | MSICGKUDCSUMJZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
6-Methoxypurine 98.0+%, TCI America™
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CAS: 1074-89-1 Molecular Formula: C6H6N4O Molecular Weight (g/mol): 150.14 MDL Number: MFCD00127913 InChI Key: GOILPRCCOREWQE-UHFFFAOYSA-N Synonym: 6-methoxypurine,6-methoxy-9h-purine,1h-purine, 6-methoxy,o-methylhypoxanthine,purine, 6-methoxy,1h-purine, 6-methoxy-9ci,6-methoxy-1h-purine,6-methoxy purine,6-methoxypu-rine,6-methoxypurine 99+% PubChem CID: 70632 IUPAC Name: 6-methoxy-7H-purine SMILES: COC1=C2NC=NC2=NC=N1
| PubChem CID | 70632 |
|---|---|
| CAS | 1074-89-1 |
| Molecular Weight (g/mol) | 150.14 |
| MDL Number | MFCD00127913 |
| SMILES | COC1=C2NC=NC2=NC=N1 |
| Synonym | 6-methoxypurine,6-methoxy-9h-purine,1h-purine, 6-methoxy,o-methylhypoxanthine,purine, 6-methoxy,1h-purine, 6-methoxy-9ci,6-methoxy-1h-purine,6-methoxy purine,6-methoxypu-rine,6-methoxypurine 99+% |
| IUPAC Name | 6-methoxy-7H-purine |
| InChI Key | GOILPRCCOREWQE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O |
3-Chloro-4-hydroxybenzaldehyde 97.0+%, TCI America™
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CAS: 2420-16-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00016981 InChI Key: VGSOCYWCRMXQAB-UHFFFAOYSA-N Synonym: benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde PubChem CID: 17022 IUPAC Name: 3-chloro-4-hydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C=C1Cl
| PubChem CID | 17022 |
|---|---|
| CAS | 2420-16-8 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00016981 |
| SMILES | OC1=CC=C(C=O)C=C1Cl |
| Synonym | benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde |
| IUPAC Name | 3-chloro-4-hydroxybenzaldehyde |
| InChI Key | VGSOCYWCRMXQAB-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Dronedarone Hydrochloride 98.0+%, TCI America™
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CAS: 141625-93-6 Molecular Formula: C31H45ClN2O5S Molecular Weight (g/mol): 593.22 MDL Number: MFCD00914940 InChI Key: DWKVCQXJYURSIQ-UHFFFAOYSA-N Synonym: N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride PubChem CID: 219025 IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
| PubChem CID | 219025 |
|---|---|
| CAS | 141625-93-6 |
| Molecular Weight (g/mol) | 593.22 |
| MDL Number | MFCD00914940 |
| SMILES | CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl |
| Synonym | N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride |
| IUPAC Name | N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride |
| InChI Key | DWKVCQXJYURSIQ-UHFFFAOYSA-N |
| Molecular Formula | C31H45ClN2O5S |
2',4'-Dihydroxypropiophenone 98.0+%, TCI America™
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CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
| PubChem CID | 79856 |
|---|---|
| CAS | 5792-36-9 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002280 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)O)O |
| Synonym | 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)propan-1-one |
| InChI Key | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Quinolinecarboxaldehyde 97.0+%, TCI America™
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CAS: 5470-96-2 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00075032 InChI Key: WPYJKGWLDJECQD-UHFFFAOYSA-N Synonym: 2-quinolinecarboxaldehyde,quinoline-2-carboxaldehyde,2-quinolinecarbaldehyde,2-formylquinoline,quinaldaldehyde,quinolinecarboxaldehyde,quinoline aldehyde,quinoline-2-aldehyde,zlchem 599,pubchem2277 PubChem CID: 79619 IUPAC Name: quinoline-2-carbaldehyde SMILES: O=CC1=CC=C2C=CC=CC2=N1
| PubChem CID | 79619 |
|---|---|
| CAS | 5470-96-2 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00075032 |
| SMILES | O=CC1=CC=C2C=CC=CC2=N1 |
| Synonym | 2-quinolinecarboxaldehyde,quinoline-2-carboxaldehyde,2-quinolinecarbaldehyde,2-formylquinoline,quinaldaldehyde,quinolinecarboxaldehyde,quinoline aldehyde,quinoline-2-aldehyde,zlchem 599,pubchem2277 |
| IUPAC Name | quinoline-2-carbaldehyde |
| InChI Key | WPYJKGWLDJECQD-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
Dodecanophenone 98.0+%, TCI America™
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CAS: 1674-38-0 Molecular Formula: C18H28O Molecular Weight (g/mol): 260.421 MDL Number: MFCD00008967 InChI Key: DJNJZIFFCJTUDS-UHFFFAOYSA-N Synonym: dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 PubChem CID: 74292 IUPAC Name: 1-phenyldodecan-1-one SMILES: CCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74292 |
|---|---|
| CAS | 1674-38-0 |
| Molecular Weight (g/mol) | 260.421 |
| MDL Number | MFCD00008967 |
| SMILES | CCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 |
| IUPAC Name | 1-phenyldodecan-1-one |
| InChI Key | DJNJZIFFCJTUDS-UHFFFAOYSA-N |
| Molecular Formula | C18H28O |
2-Sulfobenzaldehyde Sodium Salt 98.0+%, TCI America™
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CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium 2-formylbenzene-1-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
| PubChem CID | 3794540 |
|---|---|
| CAS | 1008-72-6 |
| Molecular Weight (g/mol) | 208.16 |
| MDL Number | MFCD00007478 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
| Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
| IUPAC Name | sodium 2-formylbenzene-1-sulfonate |
| InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4S |
2-Bromomethyl-1,3-dioxolane 95.0+%, TCI America™
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CAS: 4360-63-8 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 MDL Number: MFCD00003214 InChI Key: CKIIJIDEWWXQEA-UHFFFAOYSA-N Synonym: 2-bromomethyl-1,3-dioxolane,bromoacetaldehyde ethylene acetal,1,3-dioxolane, 2-bromomethyl,1,3-dioxolan-2-yl methyl bromide,bromomethyl dioxolane,acmc-1afrf,2-bromomethyl-1,3-dioxolan,ksc495q7b,2-bromomethyl-1,3 dioxolane,2-bromomethyl-1, 3-dioxolane PubChem CID: 78068 IUPAC Name: 2-(bromomethyl)-1,3-dioxolane SMILES: C1COC(O1)CBr
| PubChem CID | 78068 |
|---|---|
| CAS | 4360-63-8 |
| Molecular Weight (g/mol) | 167.002 |
| MDL Number | MFCD00003214 |
| SMILES | C1COC(O1)CBr |
| Synonym | 2-bromomethyl-1,3-dioxolane,bromoacetaldehyde ethylene acetal,1,3-dioxolane, 2-bromomethyl,1,3-dioxolan-2-yl methyl bromide,bromomethyl dioxolane,acmc-1afrf,2-bromomethyl-1,3-dioxolan,ksc495q7b,2-bromomethyl-1,3 dioxolane,2-bromomethyl-1, 3-dioxolane |
| IUPAC Name | 2-(bromomethyl)-1,3-dioxolane |
| InChI Key | CKIIJIDEWWXQEA-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
cis-3,3,5-Trimethylcyclohexanol (contains ca. 20% trans- isomer) 80.0+%, TCI America™
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CAS: 116-02-9 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00019378 InChI Key: BRRVXFOKWJKTGG-UHFFFAOYSA-N Synonym: 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 PubChem CID: 8298 ChEBI: CHEBI:59065 IUPAC Name: 3,3,5-trimethylcyclohexan-1-ol SMILES: CC1CC(CC(C1)(C)C)O
| PubChem CID | 8298 |
|---|---|
| CAS | 116-02-9 |
| Molecular Weight (g/mol) | 142.242 |
| ChEBI | CHEBI:59065 |
| MDL Number | MFCD00019378 |
| SMILES | CC1CC(CC(C1)(C)C)O |
| Synonym | 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 |
| IUPAC Name | 3,3,5-trimethylcyclohexan-1-ol |
| InChI Key | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
1-Chloroanthraquinone 98.0+%, TCI America™
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CAS: 82-44-0 Molecular Formula: C14H7ClO2 Molecular Weight (g/mol): 242.658 MDL Number: MFCD00001189 InChI Key: BOCJQSFSGAZAPQ-UHFFFAOYSA-N Synonym: 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v PubChem CID: 6709 IUPAC Name: 1-chloroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl
| PubChem CID | 6709 |
|---|---|
| CAS | 82-44-0 |
| Molecular Weight (g/mol) | 242.658 |
| MDL Number | MFCD00001189 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
| Synonym | 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v |
| IUPAC Name | 1-chloroanthracene-9,10-dione |
| InChI Key | BOCJQSFSGAZAPQ-UHFFFAOYSA-N |
| Molecular Formula | C14H7ClO2 |
1,5-Dimethoxypentane 97.0+%, TCI America™
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CAS: 111-89-7 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD03613608 InChI Key: NFCBHIFOKVDBCJ-UHFFFAOYSA-N Synonym: Pentamethylene Glycol Dimethyl Ether, 1,5-Pentanediol Dimethyl Ether PubChem CID: 8145 IUPAC Name: 1,5-dimethoxypentane SMILES: COCCCCCOC
| PubChem CID | 8145 |
|---|---|
| CAS | 111-89-7 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD03613608 |
| SMILES | COCCCCCOC |
| Synonym | Pentamethylene Glycol Dimethyl Ether, 1,5-Pentanediol Dimethyl Ether |
| IUPAC Name | 1,5-dimethoxypentane |
| InChI Key | NFCBHIFOKVDBCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
2'-(Trifluoromethoxy)acetophenone 98.0+%, TCI America™
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CAS: 220227-93-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236320 InChI Key: XTXSTESGCXKUIH-UHFFFAOYSA-N Synonym: 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 PubChem CID: 2777176 IUPAC Name: 1-[2-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777176 |
|---|---|
| CAS | 220227-93-0 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236320 |
| SMILES | CC(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | XTXSTESGCXKUIH-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
4-Methyl-2-phenyl-1,3-dioxolane (mixture of isomers) 98.0+%, TCI America™
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CAS: 2568-25-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00059732 InChI Key: CDIKGISJRLTLRA-UHFFFAOYSA-N Synonym: benzaldehyde propylene glycol acetal,1,3-dioxolane, 4-methyl-2-phenyl,4-methyl-2-phenyl-m-dioxolane,benzaldehyde propylene glycolacetal,benzaldehyde propyleneglycol acetal,benzaldehyde propylene acetal,4-methyl-2-phenyl-1.3-dioxolane,4-methyl-2-phenyl-1,3 dioxolane,#,benzaldehydepropyleneglycolacetal PubChem CID: 595928 IUPAC Name: 4-methyl-2-phenyl-1,3-dioxolane SMILES: CC1COC(O1)C2=CC=CC=C2
| PubChem CID | 595928 |
|---|---|
| CAS | 2568-25-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00059732 |
| SMILES | CC1COC(O1)C2=CC=CC=C2 |
| Synonym | benzaldehyde propylene glycol acetal,1,3-dioxolane, 4-methyl-2-phenyl,4-methyl-2-phenyl-m-dioxolane,benzaldehyde propylene glycolacetal,benzaldehyde propyleneglycol acetal,benzaldehyde propylene acetal,4-methyl-2-phenyl-1.3-dioxolane,4-methyl-2-phenyl-1,3 dioxolane,#,benzaldehydepropyleneglycolacetal |
| IUPAC Name | 4-methyl-2-phenyl-1,3-dioxolane |
| InChI Key | CDIKGISJRLTLRA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |