Organooxygen compounds
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3,4-Dichlorophenethyl alcohol, 97%
CAS: 35364-79-5 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.051 MDL Number: MFCD00800673 InChI Key: GITOMJDYNUMCOV-UHFFFAOYSA-N Synonym: 2-3,4-dichlorophenyl ethanol,3,4-dichlorophenethyl alcohol,3,4-dichlorophenethylalcohol,2-3,4-dichlorophenyl ethan-1-ol,benzeneethanol, 3,4-dichloro,2-3,4-dichlorophenyl-ethanol,3,4-dichlorobenzeneethanol,benzeneethanol,3,4-dichloro,acmc-1adlk,2-3,4-dichloro-phenyl-ethanol PubChem CID: 244558 IUPAC Name: 2-(3,4-dichlorophenyl)ethanol SMILES: C1=CC(=C(C=C1CCO)Cl)Cl
| PubChem CID | 244558 |
|---|---|
| CAS | 35364-79-5 |
| Molecular Weight (g/mol) | 191.051 |
| MDL Number | MFCD00800673 |
| SMILES | C1=CC(=C(C=C1CCO)Cl)Cl |
| Synonym | 2-3,4-dichlorophenyl ethanol,3,4-dichlorophenethyl alcohol,3,4-dichlorophenethylalcohol,2-3,4-dichlorophenyl ethan-1-ol,benzeneethanol, 3,4-dichloro,2-3,4-dichlorophenyl-ethanol,3,4-dichlorobenzeneethanol,benzeneethanol,3,4-dichloro,acmc-1adlk,2-3,4-dichloro-phenyl-ethanol |
| IUPAC Name | 2-(3,4-dichlorophenyl)ethanol |
| InChI Key | GITOMJDYNUMCOV-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
2,6-Dichloro-3-fluoroacetophenone, 97%, Thermo Scientific™
CAS: 290835-85-7 Molecular Formula: C8H5Cl2FO Molecular Weight (g/mol): 207.03 MDL Number: MFCD02093760 InChI Key: VJBFZHHRVCPAPZ-UHFFFAOYSA-N Synonym: 2',6'-dichloro-3'-fluoroacetophenone,1-2,6-dichloro-3-fluorophenyl ethanone,2,6-dichloro-3-fluoroacetophenone,1-2,6-dichloro-3-fluorophenyl ethan-1-one,2,6-dichloro-3-fluro acetophenone,2,6-dichloro-5-fluoro acetophenone,2',6'-dichloro-3'-fluroacetophenone,ethanone, 1-2,6-dichloro-3-fluorophenyl,1-acetyl-2,6-dichloro-3-fluorobenzene,pubchem8532 PubChem CID: 2733982 IUPAC Name: 1-(2,6-dichloro-3-fluorophenyl)ethanone SMILES: CC(=O)C1=C(Cl)C=CC(F)=C1Cl
| PubChem CID | 2733982 |
|---|---|
| CAS | 290835-85-7 |
| Molecular Weight (g/mol) | 207.03 |
| MDL Number | MFCD02093760 |
| SMILES | CC(=O)C1=C(Cl)C=CC(F)=C1Cl |
| Synonym | 2',6'-dichloro-3'-fluoroacetophenone,1-2,6-dichloro-3-fluorophenyl ethanone,2,6-dichloro-3-fluoroacetophenone,1-2,6-dichloro-3-fluorophenyl ethan-1-one,2,6-dichloro-3-fluro acetophenone,2,6-dichloro-5-fluoro acetophenone,2',6'-dichloro-3'-fluroacetophenone,ethanone, 1-2,6-dichloro-3-fluorophenyl,1-acetyl-2,6-dichloro-3-fluorobenzene,pubchem8532 |
| IUPAC Name | 1-(2,6-dichloro-3-fluorophenyl)ethanone |
| InChI Key | VJBFZHHRVCPAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2FO |
Butyraldehyde diethylacetal, 97%
CAS: 3658-95-5 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00038316 InChI Key: UVHXZFGCCJLFMX-UHFFFAOYSA-N Synonym: butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard PubChem CID: 77225 IUPAC Name: 1,1-diethoxybutane SMILES: CCCC(OCC)OCC
| PubChem CID | 77225 |
|---|---|
| CAS | 3658-95-5 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00038316 |
| SMILES | CCCC(OCC)OCC |
| Synonym | butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard |
| IUPAC Name | 1,1-diethoxybutane |
| InChI Key | UVHXZFGCCJLFMX-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
2-Bromo-2-phenylacetophenone, 97%
CAS: 1484-50-0 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000136 InChI Key: ZFFBIQMNKOJDJE-UHFFFAOYSA-N PubChem CID: 102630 IUPAC Name: 2-bromo-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
| PubChem CID | 102630 |
|---|---|
| CAS | 1484-50-0 |
| Molecular Weight (g/mol) | 275.13 |
| MDL Number | MFCD00000136 |
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br |
| IUPAC Name | 2-bromo-1,2-diphenylethanone |
| InChI Key | ZFFBIQMNKOJDJE-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
6-Fluoroveratraldehyde, 97%
CAS: 71924-62-4 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00061108 InChI Key: IBBYQNVXKFMSSI-UHFFFAOYSA-N Synonym: 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde PubChem CID: 603595 IUPAC Name: 2-fluoro-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(F)=C(C=O)C=C1OC
| PubChem CID | 603595 |
|---|---|
| CAS | 71924-62-4 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00061108 |
| SMILES | COC1=CC(F)=C(C=O)C=C1OC |
| Synonym | 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde |
| IUPAC Name | 2-fluoro-4,5-dimethoxybenzaldehyde |
| InChI Key | IBBYQNVXKFMSSI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO3 |
2-Methoxy-3-pyridinecarboxaldehyde, 96%, Thermo Scientific™
CAS: 71255-09-9 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 InChI Key: PIFFMIDNNWOQLK-UHFFFAOYSA-N Synonym: 2-methoxynicotinaldehyde,2-methoxy-3-pyridinecarboxaldehyde,2-methoxy-pyridine-3-carbaldehyde,2-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-methoxy,2-methoxy-3-pyridine carboxaldehyde,3-pyridinecarboxaldehyde,2-methoxy,2-methoxy-3-pyridinecarbaldehyde,pubchem15124,2-methoxy-3-formyl-pyridine PubChem CID: 12533391 IUPAC Name: 2-methoxypyridine-3-carbaldehyde SMILES: COC1=C(C=CC=N1)C=O
| PubChem CID | 12533391 |
|---|---|
| CAS | 71255-09-9 |
| Molecular Weight (g/mol) | 137.14 |
| SMILES | COC1=C(C=CC=N1)C=O |
| Synonym | 2-methoxynicotinaldehyde,2-methoxy-3-pyridinecarboxaldehyde,2-methoxy-pyridine-3-carbaldehyde,2-methoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-methoxy,2-methoxy-3-pyridine carboxaldehyde,3-pyridinecarboxaldehyde,2-methoxy,2-methoxy-3-pyridinecarbaldehyde,pubchem15124,2-methoxy-3-formyl-pyridine |
| IUPAC Name | 2-methoxypyridine-3-carbaldehyde |
| InChI Key | PIFFMIDNNWOQLK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
4-Acetylphenylboronic acid pinacol ester, 97%
CAS: 171364-81-1 Molecular Formula: C14H19BO3 Molecular Weight (g/mol): 246.11 MDL Number: MFCD05863922 InChI Key: BATKIZWNRQGSKE-UHFFFAOYSA-N Synonym: 1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethanone,4-acetylphenylboronic acid pinacol ester,4-acetylphenylboronic acid, pinacol ester,2-4-acetylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethan-1-one,amtb682,4-acetylphenyl boronic acid pinacol ester,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethanone,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2yl phenyl-ethanone PubChem CID: 2760596 IUPAC Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2760596 |
|---|---|
| CAS | 171364-81-1 |
| Molecular Weight (g/mol) | 246.11 |
| MDL Number | MFCD05863922 |
| SMILES | CC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethanone,4-acetylphenylboronic acid pinacol ester,4-acetylphenylboronic acid, pinacol ester,2-4-acetylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethan-1-one,amtb682,4-acetylphenyl boronic acid pinacol ester,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethanone,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2yl phenyl-ethanone |
| IUPAC Name | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
| InChI Key | BATKIZWNRQGSKE-UHFFFAOYSA-N |
| Molecular Formula | C14H19BO3 |
Thiazole-5-methanol, 95%, Thermo Scientific™
CAS: 38585-74-9 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 InChI Key: WKBQQWDVVHGWDB-UHFFFAOYSA-N Synonym: 5-hydroxymethylthiazole,5-hydroxymethyl thiazole,thiazol-5-ylmethanol,5-thiazolemethanol,thiazole-5-methanol,thiazol-5-yl-methanol,thiazol-5-yl methanol,5-thiazolylmethanol,5-hydroxymethyl-1,3-thiazole PubChem CID: 2763216 IUPAC Name: 1,3-thiazol-5-ylmethanol SMILES: C1=C(SC=N1)CO
| PubChem CID | 2763216 |
|---|---|
| CAS | 38585-74-9 |
| Molecular Weight (g/mol) | 115.15 |
| SMILES | C1=C(SC=N1)CO |
| Synonym | 5-hydroxymethylthiazole,5-hydroxymethyl thiazole,thiazol-5-ylmethanol,5-thiazolemethanol,thiazole-5-methanol,thiazol-5-yl-methanol,thiazol-5-yl methanol,5-thiazolylmethanol,5-hydroxymethyl-1,3-thiazole |
| IUPAC Name | 1,3-thiazol-5-ylmethanol |
| InChI Key | WKBQQWDVVHGWDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NOS |
3-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-propanol, 97%
CAS: 51268-87-2 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.21 MDL Number: MFCD01631673 InChI Key: BSLDYXOPGSOQGZ-ZETCQYMHSA-N Synonym: 3-4s-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,1,3-dioxolane-4-propanol, 2,2-dimethyl-, s,s-3-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,3-4s-2,2-dimethyl-1,3-dioxolan-4-yl-propanol,1,3-dioxolane-4-propanol,2,2-dimethyl-, 4s,3-2,2-dimethyl-1,3-dioxolane-4 s-yl-propanol,3-2,2-dimethyl-1,3-dioxolane-4beta-yl-1-propanol PubChem CID: 2733890 IUPAC Name: 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol SMILES: CC1(OCC(O1)CCCO)C
| PubChem CID | 2733890 |
|---|---|
| CAS | 51268-87-2 |
| Molecular Weight (g/mol) | 160.21 |
| MDL Number | MFCD01631673 |
| SMILES | CC1(OCC(O1)CCCO)C |
| Synonym | 3-4s-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,1,3-dioxolane-4-propanol, 2,2-dimethyl-, s,s-3-2,2-dimethyl-1,3-dioxolan-4-yl propan-1-ol,3-4s-2,2-dimethyl-1,3-dioxolan-4-yl-propanol,1,3-dioxolane-4-propanol,2,2-dimethyl-, 4s,3-2,2-dimethyl-1,3-dioxolane-4 s-yl-propanol,3-2,2-dimethyl-1,3-dioxolane-4beta-yl-1-propanol |
| IUPAC Name | 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol |
| InChI Key | BSLDYXOPGSOQGZ-ZETCQYMHSA-N |
| Molecular Formula | C8H16O3 |
| CAS | 6638-05-7 |
|---|---|
| MDL Number | MFCD00017289 |
7-Hydroxy-3,7-dimethyloctanal, MP Biomedicals
CAS: 107-75-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: WPFVBOQKRVRMJB-UHFFFAOYSA-N Synonym: hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde PubChem CID: 7888 ChEBI: CHEBI:53459 IUPAC Name: 7-hydroxy-3,7-dimethyloctanal SMILES: CC(CCCC(C)(C)O)CC=O
| PubChem CID | 7888 |
|---|---|
| CAS | 107-75-5 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:53459 |
| SMILES | CC(CCCC(C)(C)O)CC=O |
| Synonym | hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde |
| IUPAC Name | 7-hydroxy-3,7-dimethyloctanal |
| InChI Key | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
n-Amyl Alcohol, 99.5%, MP Biomedicals
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
2-Mercaptoethanol Molecular Biology MP Biomedicals
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethan-1-ol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
3,5-Dichloro-4-hydroxybenzaldehyde, 97%, Thermo Scientific™
CAS: 2314-36-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00017605 InChI Key: LIYGCLJYTHRBQV-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dichloro-4-hydroxy,3,5-dichloro-4-hydroxy-benzaldehyde,benzaldehyde,3,5-dichloro-4-hydroxy,2,6-dichloro-4-formylphenol,benzaldehyde,5-dichloro-4-hydroxy,1-formyl-3,5-dichloro-4-hydroxy-benzene,3,5-bis chloranyl-4-oxidanyl-benzaldehyde PubChem CID: 16839 IUPAC Name: 3,5-dichloro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C=O
| PubChem CID | 16839 |
|---|---|
| CAS | 2314-36-5 |
| Molecular Weight (g/mol) | 191.007 |
| MDL Number | MFCD00017605 |
| SMILES | C1=C(C=C(C(=C1Cl)O)Cl)C=O |
| Synonym | benzaldehyde, 3,5-dichloro-4-hydroxy,3,5-dichloro-4-hydroxy-benzaldehyde,benzaldehyde,3,5-dichloro-4-hydroxy,2,6-dichloro-4-formylphenol,benzaldehyde,5-dichloro-4-hydroxy,1-formyl-3,5-dichloro-4-hydroxy-benzene,3,5-bis chloranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 3,5-dichloro-4-hydroxybenzaldehyde |
| InChI Key | LIYGCLJYTHRBQV-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol, 99%, Thermo Scientific Chemicals
CAS: 19184-65-7 Molecular Formula: C5H11BrO3 Molecular Weight (g/mol): 199.05 MDL Number: MFCD00135306 InChI Key: MMHHBAUIJVTLFZ-UHFFFAOYSA-N Synonym: 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide PubChem CID: 87954 IUPAC Name: 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CBr)O
| PubChem CID | 87954 |
|---|---|
| CAS | 19184-65-7 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00135306 |
| SMILES | C(C(CO)(CO)CBr)O |
| Synonym | 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide |
| IUPAC Name | 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | MMHHBAUIJVTLFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO3 |