Organooxygen compounds
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2-Bromo-1-(3-thienyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 1468-82-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.07 MDL Number: MFCD02677695 InChI Key: TXEJYUFJFSPCHH-UHFFFAOYSA-N PubChem CID: 2776379 SMILES: BrCC(=O)C1=CSC=C1
| PubChem CID | 2776379 |
|---|---|
| CAS | 1468-82-2 |
| Molecular Weight (g/mol) | 205.07 |
| MDL Number | MFCD02677695 |
| SMILES | BrCC(=O)C1=CSC=C1 |
| InChI Key | TXEJYUFJFSPCHH-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
Ethyl 2-chloro-5-pyridylglyoxylate, 97%, Thermo Scientific Chemicals
CAS: 902837-55-2 Molecular Formula: C9H8ClNO3 Molecular Weight (g/mol): 213.617 MDL Number: MFCD07781188 InChI Key: HRFPVENOVYSKHE-UHFFFAOYSA-N Synonym: ethyl 6-chloro-3-pyridylglyoxylate,ethyl 2-6-chloropyridin-3-yl-2-oxoacetate,ethyl 2-chloro-5-pyridylglyoxylate,ethyl 6-chloropyridin-3-yl oxo acetate,ethyl6-chloro-3-pyridylglyoxylate,ethyl 6-chloro-3-pyridinyl oxoacetate,6-chloro-3-pyridylglyoxylic acid ethyl ester,ethyl 2-6-chloro 3-pyridyl-2-oxoacetate PubChem CID: 42553168 IUPAC Name: ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 42553168 |
|---|---|
| CAS | 902837-55-2 |
| Molecular Weight (g/mol) | 213.617 |
| MDL Number | MFCD07781188 |
| SMILES | CCOC(=O)C(=O)C1=CN=C(C=C1)Cl |
| Synonym | ethyl 6-chloro-3-pyridylglyoxylate,ethyl 2-6-chloropyridin-3-yl-2-oxoacetate,ethyl 2-chloro-5-pyridylglyoxylate,ethyl 6-chloropyridin-3-yl oxo acetate,ethyl6-chloro-3-pyridylglyoxylate,ethyl 6-chloro-3-pyridinyl oxoacetate,6-chloro-3-pyridylglyoxylic acid ethyl ester,ethyl 2-6-chloro 3-pyridyl-2-oxoacetate |
| IUPAC Name | ethyl 2-(6-chloropyridin-3-yl)-2-oxoacetate |
| InChI Key | HRFPVENOVYSKHE-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClNO3 |
3-Bromo-4-methoxypyridine, 97%
CAS: 82257-09-8 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD05664024 InChI Key: DSFJKFHIMBVWAV-UHFFFAOYSA-N PubChem CID: 642827 IUPAC Name: 3-bromo-4-methoxypyridine SMILES: COC1=C(C=NC=C1)Br
| PubChem CID | 642827 |
|---|---|
| CAS | 82257-09-8 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD05664024 |
| SMILES | COC1=C(C=NC=C1)Br |
| IUPAC Name | 3-bromo-4-methoxypyridine |
| InChI Key | DSFJKFHIMBVWAV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
Oleyl alcohol, ca. 60%, technical
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: (9Z)-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 | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
2-Amino-4'-methoxyacetophenone hydrochloride, 97%
CAS: 3883-94-1 Molecular Formula: C9H11NO2·ClH Molecular Weight (g/mol): 201.65 MDL Number: MFCD00193078 InChI Key: FZVYWBMMOSHMRS-UHFFFAOYSA-N Synonym: 2-amino-1-4-methoxyphenyl ethanone hydrochloride,2-amino-4'-methoxyacetophenone hydrochloride,2-amino-1-4-methoxyphenyl ethan-1-one hydrochloride,4-methoxyphenacylamine hydrochloride,ethanone, 2-amino-1-4-methoxyphenyl-, hydrochloride,2-amino-1-4-methoxyphenyl ethan-1-one, chloride,pubchem22350,acmc-1ad40,4-aminoacetyl anisole hydrochloride,2-amino-4-methoxyacetophenone hydrochloride PubChem CID: 12487188 IUPAC Name: 2-amino-1-(4-methoxyphenyl)ethanone;hydrochloride SMILES: COC1=CC=C(C=C1)C(=O)CN.Cl
| PubChem CID | 12487188 |
|---|---|
| CAS | 3883-94-1 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD00193078 |
| SMILES | COC1=CC=C(C=C1)C(=O)CN.Cl |
| Synonym | 2-amino-1-4-methoxyphenyl ethanone hydrochloride,2-amino-4'-methoxyacetophenone hydrochloride,2-amino-1-4-methoxyphenyl ethan-1-one hydrochloride,4-methoxyphenacylamine hydrochloride,ethanone, 2-amino-1-4-methoxyphenyl-, hydrochloride,2-amino-1-4-methoxyphenyl ethan-1-one, chloride,pubchem22350,acmc-1ad40,4-aminoacetyl anisole hydrochloride,2-amino-4-methoxyacetophenone hydrochloride |
| IUPAC Name | 2-amino-1-(4-methoxyphenyl)ethanone;hydrochloride |
| InChI Key | FZVYWBMMOSHMRS-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2·ClH |
3-Buten-1-ol, 98+%
CAS: 627-27-0 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
5-Phenyl-2-furaldehyde, 96%
CAS: 13803-39-9 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.19 InChI Key: BMJHNNPEPBZULA-UHFFFAOYSA-N Synonym: 5-phenyl-2-furaldehyde,2-formyl-5-phenylfuran,5-phenyl-furan-2-carbaldehyde,5-phenylfurfural,2-furancarboxaldehyde,5-phenyl,5-phenylfuraldehyde,acmc-209y7p,5-phenyl-2-furancarboxaldehyde PubChem CID: 2769420 IUPAC Name: 5-phenylfuran-2-carbaldehyde SMILES: C1=CC=C(C=C1)C2=CC=C(O2)C=O
| PubChem CID | 2769420 |
|---|---|
| CAS | 13803-39-9 |
| Molecular Weight (g/mol) | 172.19 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(O2)C=O |
| Synonym | 5-phenyl-2-furaldehyde,2-formyl-5-phenylfuran,5-phenyl-furan-2-carbaldehyde,5-phenylfurfural,2-furancarboxaldehyde,5-phenyl,5-phenylfuraldehyde,acmc-209y7p,5-phenyl-2-furancarboxaldehyde |
| IUPAC Name | 5-phenylfuran-2-carbaldehyde |
| InChI Key | BMJHNNPEPBZULA-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 936250-17-8 Molecular Formula: C12H19BN2O4 Molecular Weight (g/mol): 266.10 MDL Number: MFCD06795654 InChI Key: RKHZHTLJEUBARP-UHFFFAOYSA-N Synonym: 2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid pinacol ester,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid, pinacol ester,2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrimidine,2,4-dimethoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronicacidpinacolester,2,4-dimethoxyprimidine-5-boronic acid pinacol ester,2,6-dimethoxypyrimidine-5-boronic acid, pinacol ester PubChem CID: 16218388 IUPAC Name: 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine SMILES: COC1=NC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1
| PubChem CID | 16218388 |
|---|---|
| CAS | 936250-17-8 |
| Molecular Weight (g/mol) | 266.10 |
| MDL Number | MFCD06795654 |
| SMILES | COC1=NC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1 |
| Synonym | 2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid pinacol ester,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronic acid, pinacol ester,2,4-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrimidine,2,4-dimethoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,2,4-dimethoxypyrimidine-5-boronicacidpinacolester,2,4-dimethoxyprimidine-5-boronic acid pinacol ester,2,6-dimethoxypyrimidine-5-boronic acid, pinacol ester |
| IUPAC Name | 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI Key | RKHZHTLJEUBARP-UHFFFAOYSA-N |
| Molecular Formula | C12H19BN2O4 |
Phenylpropiolaldehyde diethyl acetal, 98%
CAS: 6142-95-6 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.27 MDL Number: MFCD00009238 InChI Key: DTEGZYXCDQFSBZ-UHFFFAOYSA-N Synonym: 3,3-diethoxyprop-1-yn-1-yl benzene,phenylpropiolaldehyde diethyl acetal,phenylpropargyl aldehyde diethyl acetal,3-phenylpropynal diethyl acetal,dehydrocinnamaldehyde-diethylacetal,benzene, 3,3-diethoxy-1-propynyl,propiolaldehyde, phenyl-, diethyl acetal,1,1-diethoxy-3-phenylprop-2-yne,acmc-1bh6o,propiolaldehyde, diethyl acetal PubChem CID: 64818 IUPAC Name: 3,3-diethoxyprop-1-ynylbenzene SMILES: CCOC(OCC)C#CC1=CC=CC=C1
| PubChem CID | 64818 |
|---|---|
| CAS | 6142-95-6 |
| Molecular Weight (g/mol) | 204.27 |
| MDL Number | MFCD00009238 |
| SMILES | CCOC(OCC)C#CC1=CC=CC=C1 |
| Synonym | 3,3-diethoxyprop-1-yn-1-yl benzene,phenylpropiolaldehyde diethyl acetal,phenylpropargyl aldehyde diethyl acetal,3-phenylpropynal diethyl acetal,dehydrocinnamaldehyde-diethylacetal,benzene, 3,3-diethoxy-1-propynyl,propiolaldehyde, phenyl-, diethyl acetal,1,1-diethoxy-3-phenylprop-2-yne,acmc-1bh6o,propiolaldehyde, diethyl acetal |
| IUPAC Name | 3,3-diethoxyprop-1-ynylbenzene |
| InChI Key | DTEGZYXCDQFSBZ-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
3-Bromo-2-fluoroacetophenone, 96%, Thermo Scientific Chemicals
CAS: 161957-61-5 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD09264507 InChI Key: GSLFYQYBXIVNLS-UHFFFAOYSA-N Synonym: 3'-bromo-2'-fluoroacetophenone,1-3-bromo-2-fluorophenyl ethanone,1-3-bromo-2-fluorophenyl ethan-1-one,1-3-bromo-2-fluoro-phenyl-ethanone,3-bromo-2-fluoroacetophenone,1-3-bromo-2-fluoro-phenyl ethanone,2'-fluoro-3'-bromo acetophenone,ethanone, 1-3-bromo-2-fluorophenyl,1-acetyl-3-bromo-2-fluorobenzene,pubchem4095 PubChem CID: 14937359 IUPAC Name: 1-(3-bromo-2-fluorophenyl)ethanone SMILES: CC(=O)C1=C(F)C(Br)=CC=C1
| PubChem CID | 14937359 |
|---|---|
| CAS | 161957-61-5 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD09264507 |
| SMILES | CC(=O)C1=C(F)C(Br)=CC=C1 |
| Synonym | 3'-bromo-2'-fluoroacetophenone,1-3-bromo-2-fluorophenyl ethanone,1-3-bromo-2-fluorophenyl ethan-1-one,1-3-bromo-2-fluoro-phenyl-ethanone,3-bromo-2-fluoroacetophenone,1-3-bromo-2-fluoro-phenyl ethanone,2'-fluoro-3'-bromo acetophenone,ethanone, 1-3-bromo-2-fluorophenyl,1-acetyl-3-bromo-2-fluorobenzene,pubchem4095 |
| IUPAC Name | 1-(3-bromo-2-fluorophenyl)ethanone |
| InChI Key | GSLFYQYBXIVNLS-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
Cyclopentanemethanol, 98%, Thermo Scientific™
CAS: 3637-61-4 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00001384 InChI Key: ISQVBYGGNVVVHB-UHFFFAOYSA-N Synonym: cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol PubChem CID: 77195 IUPAC Name: cyclopentylmethanol SMILES: C1CCC(C1)CO
| PubChem CID | 77195 |
|---|---|
| CAS | 3637-61-4 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD00001384 |
| SMILES | C1CCC(C1)CO |
| Synonym | cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol |
| IUPAC Name | cyclopentylmethanol |
| InChI Key | ISQVBYGGNVVVHB-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
3-Bromo-5-methoxypyridine, 97%, Thermo Scientific Chemicals
CAS: 50720-12-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD00234169 InChI Key: FZWUIWQMJFAWJW-UHFFFAOYSA-N Synonym: 3-bromo-5-methoxy-pyridine,5-methoxy-3-bromopyridine,5-bromo-3-methoxypyridine,pyridine, 3-bromo-5-methoxy,5-bromopyridin-3-yl methyl ether,3-methoxy-5-bromopyridine,3-bromo-5-methoxy pyridine,3-brom-5-methoxypyridin,zlchem 930,pubchem5085 PubChem CID: 817163 IUPAC Name: 3-bromo-5-methoxypyridine SMILES: COC1=CC(=CN=C1)Br
| PubChem CID | 817163 |
|---|---|
| CAS | 50720-12-2 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD00234169 |
| SMILES | COC1=CC(=CN=C1)Br |
| Synonym | 3-bromo-5-methoxy-pyridine,5-methoxy-3-bromopyridine,5-bromo-3-methoxypyridine,pyridine, 3-bromo-5-methoxy,5-bromopyridin-3-yl methyl ether,3-methoxy-5-bromopyridine,3-bromo-5-methoxy pyridine,3-brom-5-methoxypyridin,zlchem 930,pubchem5085 |
| IUPAC Name | 3-bromo-5-methoxypyridine |
| InChI Key | FZWUIWQMJFAWJW-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
2-Bromopyridine-5-carboxaldehyde, 95%
CAS: 149806-06-4 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.01 MDL Number: MFCD04115419 InChI Key: PVUKGNBRJFTFNJ-UHFFFAOYSA-N Synonym: 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine PubChem CID: 11769234 IUPAC Name: 6-bromopyridine-3-carbaldehyde SMILES: BrC1=CC=C(C=O)C=N1
| PubChem CID | 11769234 |
|---|---|
| CAS | 149806-06-4 |
| Molecular Weight (g/mol) | 186.01 |
| MDL Number | MFCD04115419 |
| SMILES | BrC1=CC=C(C=O)C=N1 |
| Synonym | 6-bromonicotinaldehyde,2-bromo-5-formylpyridine,2-bromopyridine-5-carbaldehyde,6-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-5-carboxaldehyde,3-pyridinecarboxaldehyde, 6-bromo,6-bromo-pyridine-3-carbaldehyde,6-bromopyridine-3-carboxaldehyde,2-bromo-5-pyridinecarbaldehyde,6-bromo-3-formylpyridine |
| IUPAC Name | 6-bromopyridine-3-carbaldehyde |
| InChI Key | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
2-Butyn-1-ol, 98%
CAS: 764-01-2 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00002914 InChI Key: NEEDEQSZOUAJMU-UHFFFAOYSA-N Synonym: 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol PubChem CID: 12991 IUPAC Name: but-2-yn-1-ol SMILES: CC#CCO
| PubChem CID | 12991 |
|---|---|
| CAS | 764-01-2 |
| Molecular Weight (g/mol) | 70.091 |
| MDL Number | MFCD00002914 |
| SMILES | CC#CCO |
| Synonym | 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol |
| IUPAC Name | but-2-yn-1-ol |
| InChI Key | NEEDEQSZOUAJMU-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
Phenylacetaldehyde dimethyl acetal, 98%, Thermo Scientific™
CAS: 101-48-4 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00008487 InChI Key: WNJSKZBEWNVKGU-UHFFFAOYSA-N Synonym: 2,2-dimethoxyethyl benzene,phenylacetaldehyde dimethyl acetal,viridine,hyscylene p,1,1-dimethoxy-2-phenylethane,benzene, 2,2-dimethoxyethyl,phenacetaldehyde dimethyl acetal,padma,2,2-dimethoxy-1-phenylethane,phenylacetic aldehyde dimethyl acetal PubChem CID: 60995 IUPAC Name: 2,2-dimethoxyethylbenzene SMILES: COC(CC1=CC=CC=C1)OC
| PubChem CID | 60995 |
|---|---|
| CAS | 101-48-4 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00008487 |
| SMILES | COC(CC1=CC=CC=C1)OC |
| Synonym | 2,2-dimethoxyethyl benzene,phenylacetaldehyde dimethyl acetal,viridine,hyscylene p,1,1-dimethoxy-2-phenylethane,benzene, 2,2-dimethoxyethyl,phenacetaldehyde dimethyl acetal,padma,2,2-dimethoxy-1-phenylethane,phenylacetic aldehyde dimethyl acetal |
| IUPAC Name | 2,2-dimethoxyethylbenzene |
| InChI Key | WNJSKZBEWNVKGU-UHFFFAOYSA-N |