Organooxygen compounds
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2'-Bromo-6'-fluoroacetophenone, 96%
CAS: 928715-37-1 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 InChI Key: ZTLLHQUYOLPVAR-UHFFFAOYSA-N Synonym: 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl PubChem CID: 66570680 IUPAC Name: 1-(2-bromo-6-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Br)F
| PubChem CID | 66570680 |
|---|---|
| CAS | 928715-37-1 |
| Molecular Weight (g/mol) | 217.037 |
| SMILES | CC(=O)C1=C(C=CC=C1Br)F |
| Synonym | 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)ethanone |
| InChI Key | ZTLLHQUYOLPVAR-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3,5-Dimethylisoxazole-4-carboxaldehyde, 97%
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD02681977 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD02681977 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Oleyl alcohol, 99+%
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
2-Acetyl-4-chlorothiophene, 98+%
CAS: 34730-20-6 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00082791 InChI Key: FKESGQASARHBDC-UHFFFAOYSA-N PubChem CID: 11105655 IUPAC Name: 1-(4-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC(Cl)=CS1
| PubChem CID | 11105655 |
|---|---|
| CAS | 34730-20-6 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00082791 |
| SMILES | CC(=O)C1=CC(Cl)=CS1 |
| IUPAC Name | 1-(4-chlorothiophen-2-yl)ethanone |
| InChI Key | FKESGQASARHBDC-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
3-Methoxythiophene-2-carboxaldehyde, 97%
CAS: 35134-07-7 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD01571098 InChI Key: KGJDTMQUUPIAEF-UHFFFAOYSA-N PubChem CID: 588315 IUPAC Name: 3-methoxythiophene-2-carbaldehyde SMILES: COC1=C(SC=C1)C=O
| PubChem CID | 588315 |
|---|---|
| CAS | 35134-07-7 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD01571098 |
| SMILES | COC1=C(SC=C1)C=O |
| IUPAC Name | 3-methoxythiophene-2-carbaldehyde |
| InChI Key | KGJDTMQUUPIAEF-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
2-Chloro-3,4-dimethoxypyridine, 97%, Thermo Scientific Chemicals
CAS: 101664-59-9 Molecular Formula: C7H9Cl2NO2 Molecular Weight (g/mol): 210.054 MDL Number: MFCD03265283 InChI Key: AOBQXXVCWDAJFE-UHFFFAOYSA-N Synonym: 2-chloro-3,4-dimethoxypyridine hydrochloride,2-chloro-3,4-dimethoxypyridine hcl,2-chloro-3,4-dimethoxypyridine-hydrogen chloride 1/1 PubChem CID: 24728279 IUPAC Name: 2-chloro-3,4-dimethoxypyridine;hydrochloride SMILES: COC1=C(C(=NC=C1)Cl)OC.Cl
| PubChem CID | 24728279 |
|---|---|
| CAS | 101664-59-9 |
| Molecular Weight (g/mol) | 210.054 |
| MDL Number | MFCD03265283 |
| SMILES | COC1=C(C(=NC=C1)Cl)OC.Cl |
| Synonym | 2-chloro-3,4-dimethoxypyridine hydrochloride,2-chloro-3,4-dimethoxypyridine hcl,2-chloro-3,4-dimethoxypyridine-hydrogen chloride 1/1 |
| IUPAC Name | 2-chloro-3,4-dimethoxypyridine;hydrochloride |
| InChI Key | AOBQXXVCWDAJFE-UHFFFAOYSA-N |
| Molecular Formula | C7H9Cl2NO2 |
2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone, 97%
CAS: 86404-63-9 Molecular Formula: C10H7F2N3O Molecular Weight (g/mol): 223.183 MDL Number: MFCD02093825 InChI Key: XCHRPVARHBCFMJ-UHFFFAOYSA-N Synonym: 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethanone,2,4-difluoro-alpha-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1,2,4-triazol-1-yl ethanone,2',4'-difluoro-2-1h-1,2,4-triazol-1-yl acetophenone,unii-hxi8r9r915,2-1h-1,2,4-triazol-1-yl-2',4'-difluoroacetophenone,ethanone, 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl,2',4'-difluoro-2-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethan-1-one,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl-ethanone PubChem CID: 588080 IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone SMILES: C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2
| PubChem CID | 588080 |
|---|---|
| CAS | 86404-63-9 |
| Molecular Weight (g/mol) | 223.183 |
| MDL Number | MFCD02093825 |
| SMILES | C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2 |
| Synonym | 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethanone,2,4-difluoro-alpha-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1,2,4-triazol-1-yl ethanone,2',4'-difluoro-2-1h-1,2,4-triazol-1-yl acetophenone,unii-hxi8r9r915,2-1h-1,2,4-triazol-1-yl-2',4'-difluoroacetophenone,ethanone, 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl,2',4'-difluoro-2-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethan-1-one,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl-ethanone |
| IUPAC Name | 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone |
| InChI Key | XCHRPVARHBCFMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H7F2N3O |
1-Phenyl-1H-pyrazole-4-carboxaldehyde, 98%
CAS: 54605-72-0 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.19 MDL Number: MFCD02179568 InChI Key: PHVRLPFVPVKYOI-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole-4-carbaldehyde,1-phenyl-1h-pyrazole-4-carboxaldehyde,1-phenylpyrazole-4-carboxaldehyde,pubchem13271,acmc-1awxu,phenyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,1-phenyl PubChem CID: 952089 IUPAC Name: 1-phenylpyrazole-4-carbaldehyde SMILES: O=CC1=CN(N=C1)C1=CC=CC=C1
| PubChem CID | 952089 |
|---|---|
| CAS | 54605-72-0 |
| Molecular Weight (g/mol) | 172.19 |
| MDL Number | MFCD02179568 |
| SMILES | O=CC1=CN(N=C1)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-pyrazole-4-carbaldehyde,1-phenyl-1h-pyrazole-4-carboxaldehyde,1-phenylpyrazole-4-carboxaldehyde,pubchem13271,acmc-1awxu,phenyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,1-phenyl |
| IUPAC Name | 1-phenylpyrazole-4-carbaldehyde |
| InChI Key | PHVRLPFVPVKYOI-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O |
2-(Hydroxymethyl)pyridine-5-boronic acid, 97%
CAS: 913835-98-0 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.944 MDL Number: MFCD09027230 InChI Key: MSUQKXAJTUAESD-UHFFFAOYSA-N Synonym: 6-hydroxymethyl pyridin-3-yl boronic acid,6-hydroxymethyl pyridine-3-boronic acid,2-hydroxymethyl pyridine-5-boronic acid,6-hydroxymethyl pyridin-3-ylboronic acid,boronicacid, b-6-hydroxymethyl-3-pyridinyl,5-boronopyridin-2-yl methanol,6-hydroxymethyl-3-pyridineboronic acid,acmc-209raj,6-hydroxymethyl-3-pyridyl boronic acid PubChem CID: 44118255 IUPAC Name: [6-(hydroxymethyl)pyridin-3-yl]boronic acid SMILES: B(C1=CN=C(C=C1)CO)(O)O
| PubChem CID | 44118255 |
|---|---|
| CAS | 913835-98-0 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD09027230 |
| SMILES | B(C1=CN=C(C=C1)CO)(O)O |
| Synonym | 6-hydroxymethyl pyridin-3-yl boronic acid,6-hydroxymethyl pyridine-3-boronic acid,2-hydroxymethyl pyridine-5-boronic acid,6-hydroxymethyl pyridin-3-ylboronic acid,boronicacid, b-6-hydroxymethyl-3-pyridinyl,5-boronopyridin-2-yl methanol,6-hydroxymethyl-3-pyridineboronic acid,acmc-209raj,6-hydroxymethyl-3-pyridyl boronic acid |
| IUPAC Name | [6-(hydroxymethyl)pyridin-3-yl]boronic acid |
| InChI Key | MSUQKXAJTUAESD-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
Ethyl 2-cyanoacetoacetate
CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O
| PubChem CID | 136455 |
|---|---|
| CAS | 634-55-9 |
| Molecular Weight (g/mol) | 155.15 |
| ChEBI | CHEBI:51924 |
| MDL Number | MFCD00043487 |
| SMILES | CCOC(=O)C(C#N)C(C)=O |
| Synonym | ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 |
| IUPAC Name | ethyl 2-cyano-3-oxobutanoate |
| InChI Key | NWOKVFOTWMZMHL-UHFFFAOYNA-N |
| Molecular Formula | C7H9NO3 |
2,2-Dimethyl-1,3-propanediol, 99%
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
trans-4-Aminocyclohexanol, 98+%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00067698 InChI Key: IMLXLGZJLAOKJN-UHFFFAOYSA-N Synonym: trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 PubChem CID: 81293 IUPAC Name: 4-aminocyclohexan-1-ol SMILES: C1CC(CCC1N)O
| PubChem CID | 81293 |
|---|---|
| CAS | 27489-62-9 |
| Molecular Weight (g/mol) | 115.176 |
| MDL Number | MFCD00067698 |
| SMILES | C1CC(CCC1N)O |
| Synonym | trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 |
| IUPAC Name | 4-aminocyclohexan-1-ol |
| InChI Key | IMLXLGZJLAOKJN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
1,1,3-Trimethoxypropane, 97%
CAS: 14315-97-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008490 InChI Key: FKZYYYDRLJCHGL-UHFFFAOYSA-N Synonym: propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal PubChem CID: 84348 IUPAC Name: 1,1,3-trimethoxypropane SMILES: COCCC(OC)OC
| PubChem CID | 84348 |
|---|---|
| CAS | 14315-97-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008490 |
| SMILES | COCCC(OC)OC |
| Synonym | propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal |
| IUPAC Name | 1,1,3-trimethoxypropane |
| InChI Key | FKZYYYDRLJCHGL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
| CAS | 4694-12-6 |
|---|---|
| MDL Number | MFCD00019313 |
2',4'-Dihydroxypropiophenone, 99%
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 |