Organooxygen compounds
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2,2-Dichloro-1,1-difluoroethyl methyl ether, 97%, Thermo Scientific Chemicals
CAS: 76-38-0 Molecular Formula: C3H4Cl2F2O Molecular Weight (g/mol): 164.96 MDL Number: MFCD00040144 InChI Key: RFKMCNOHBTXSMU-UHFFFAOYSA-N Synonym: methoxyflurane,methoxyfluran,penthrane,methoflurane,metoxifluran,metoxfluran,methoxane,anecotan,metofane,pentrane PubChem CID: 4116 ChEBI: CHEBI:6843 IUPAC Name: 2,2-dichloro-1,1-difluoro-1-methoxyethane SMILES: COC(F)(F)C(Cl)Cl
| PubChem CID | 4116 |
|---|---|
| CAS | 76-38-0 |
| Molecular Weight (g/mol) | 164.96 |
| ChEBI | CHEBI:6843 |
| MDL Number | MFCD00040144 |
| SMILES | COC(F)(F)C(Cl)Cl |
| Synonym | methoxyflurane,methoxyfluran,penthrane,methoflurane,metoxifluran,metoxfluran,methoxane,anecotan,metofane,pentrane |
| IUPAC Name | 2,2-dichloro-1,1-difluoro-1-methoxyethane |
| InChI Key | RFKMCNOHBTXSMU-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2F2O |
3,4-Dimethoxythiophene, 98%
CAS: 51792-34-8 Molecular Formula: C6H8O2S Molecular Weight (g/mol): 144.188 MDL Number: MFCD01096546 InChI Key: ZUDCKLVMBAXBIF-UHFFFAOYSA-N Synonym: 3,4-dimethoxy thiophene,thiophene, 3,4-dimethoxy,pubchem15752,3,4-dimethoxy-thiophene,acmc-209kw1,ksc491i4n,3,4-dimethoxythiophene PubChem CID: 3613501 IUPAC Name: 3,4-dimethoxythiophene SMILES: COC1=CSC=C1OC
| PubChem CID | 3613501 |
|---|---|
| CAS | 51792-34-8 |
| Molecular Weight (g/mol) | 144.188 |
| MDL Number | MFCD01096546 |
| SMILES | COC1=CSC=C1OC |
| Synonym | 3,4-dimethoxy thiophene,thiophene, 3,4-dimethoxy,pubchem15752,3,4-dimethoxy-thiophene,acmc-209kw1,ksc491i4n,3,4-dimethoxythiophene |
| IUPAC Name | 3,4-dimethoxythiophene |
| InChI Key | ZUDCKLVMBAXBIF-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2S |
4-Chloro-1-butanol, tech. 85%
CAS: 928-51-8 Molecular Formula: C4H9ClO Molecular Weight (g/mol): 108.57 MDL Number: MFCD00002967 InChI Key: HXHGULXINZUGJX-UHFFFAOYSA-N Synonym: 4-chloro-1-butanol,4-chlorobutanol,1-butanol, 4-chloro,tetramethylene chlorohydrin,4-chloro-1-butane-ol,4-chlorbutan-1-ol,unii-42ei3i5ay0,4-chlorbutan-1-ol german,ccris 7507,4-chloro-butan-1-ol PubChem CID: 13569 ChEBI: CHEBI:87310 IUPAC Name: 4-chlorobutan-1-ol SMILES: OCCCCCl
| PubChem CID | 13569 |
|---|---|
| CAS | 928-51-8 |
| Molecular Weight (g/mol) | 108.57 |
| ChEBI | CHEBI:87310 |
| MDL Number | MFCD00002967 |
| SMILES | OCCCCCl |
| Synonym | 4-chloro-1-butanol,4-chlorobutanol,1-butanol, 4-chloro,tetramethylene chlorohydrin,4-chloro-1-butane-ol,4-chlorbutan-1-ol,unii-42ei3i5ay0,4-chlorbutan-1-ol german,ccris 7507,4-chloro-butan-1-ol |
| IUPAC Name | 4-chlorobutan-1-ol |
| InChI Key | HXHGULXINZUGJX-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO |
2-Benzoylthiophene, 98%
CAS: 135-00-2 Molecular Formula: C11H8OS Molecular Weight (g/mol): 188.244 MDL Number: MFCD00022495 InChI Key: DWYFUJJWTRPARQ-UHFFFAOYSA-N Synonym: 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene PubChem CID: 67262 IUPAC Name: phenyl(thiophen-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CS2
| PubChem CID | 67262 |
|---|---|
| CAS | 135-00-2 |
| Molecular Weight (g/mol) | 188.244 |
| MDL Number | MFCD00022495 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| Synonym | 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene |
| IUPAC Name | phenyl(thiophen-2-yl)methanone |
| InChI Key | DWYFUJJWTRPARQ-UHFFFAOYSA-N |
| Molecular Formula | C11H8OS |
5-Bromopyridine-2-carboxaldehyde, 99%
CAS: 31181-90-5 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD04112535 InChI Key: ZQVLPMNLLKGGIU-UHFFFAOYSA-N Synonym: 5-bromopicolinaldehyde,5-bromo-2-formylpyridine,5-bromo-2-pyridinecarboxaldehyde,5-bromopyridine-2-carboxaldehyde,5-bromo-pyridine-2-carbaldehyde,5-bromo-2-pyridinecarbaldehyde,2-pyridinecarboxaldehyde, 5-bromo,5-bromo-2-pyridine-carbaldehyde,pubchem5059,5-bromo picolinaldehyde PubChem CID: 9877562 IUPAC Name: 5-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC=C1Br)C=O
| PubChem CID | 9877562 |
|---|---|
| CAS | 31181-90-5 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD04112535 |
| SMILES | C1=CC(=NC=C1Br)C=O |
| Synonym | 5-bromopicolinaldehyde,5-bromo-2-formylpyridine,5-bromo-2-pyridinecarboxaldehyde,5-bromopyridine-2-carboxaldehyde,5-bromo-pyridine-2-carbaldehyde,5-bromo-2-pyridinecarbaldehyde,2-pyridinecarboxaldehyde, 5-bromo,5-bromo-2-pyridine-carbaldehyde,pubchem5059,5-bromo picolinaldehyde |
| IUPAC Name | 5-bromopyridine-2-carbaldehyde |
| InChI Key | ZQVLPMNLLKGGIU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
4,4-Dimethyl-1-phenylpentane-1,3-dione, 99%
CAS: 13988-67-5 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.27 MDL Number: MFCD00511275 InChI Key: HORVLKADAZQYRS-UHFFFAOYSA-N Synonym: cbmicro_020484,benzoylpivaloylmethane,acmc-1c1ej,2-tert-butylcarbonyl acetophenone,1-tert-butyl-3-phenylmalonaldehyde,1,3-pentanedione,4,4-dimethyl-1-phenyl,1,3-pentanedione, 4,4-dimethyl-1-phenyl,4,4-dimethyl-1-phenyl-1,3-pentanedione # PubChem CID: 589971 IUPAC Name: 4,4-dimethyl-1-phenylpentane-1,3-dione SMILES: CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 589971 |
|---|---|
| CAS | 13988-67-5 |
| Molecular Weight (g/mol) | 204.27 |
| MDL Number | MFCD00511275 |
| SMILES | CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | cbmicro_020484,benzoylpivaloylmethane,acmc-1c1ej,2-tert-butylcarbonyl acetophenone,1-tert-butyl-3-phenylmalonaldehyde,1,3-pentanedione,4,4-dimethyl-1-phenyl,1,3-pentanedione, 4,4-dimethyl-1-phenyl,4,4-dimethyl-1-phenyl-1,3-pentanedione # |
| IUPAC Name | 4,4-dimethyl-1-phenylpentane-1,3-dione |
| InChI Key | HORVLKADAZQYRS-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
3'-Bromopropiophenone, 97%
CAS: 19829-31-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000084 InChI Key: QSHLXVTVXQTHBS-UHFFFAOYSA-N Synonym: 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u PubChem CID: 88272 IUPAC Name: 1-(3-bromophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 88272 |
|---|---|
| CAS | 19829-31-3 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD00000084 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Br |
| Synonym | 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u |
| IUPAC Name | 1-(3-bromophenyl)propan-1-one |
| InChI Key | QSHLXVTVXQTHBS-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
4'-Acetoxyacetophenone, 99%
CAS: 13031-43-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017229 InChI Key: SMIOEQSLJNNKQF-UHFFFAOYSA-N Synonym: 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf PubChem CID: 83063 ChEBI: CHEBI:86558 IUPAC Name: (4-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)=O
| PubChem CID | 83063 |
|---|---|
| CAS | 13031-43-1 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:86558 |
| MDL Number | MFCD00017229 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf |
| IUPAC Name | (4-acetylphenyl) acetate |
| InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Di-n-propyl ether, 99%
CAS: 111-43-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009376 InChI Key: POLCUAVZOMRGSN-UHFFFAOYSA-N Synonym: dipropyl ether,propyl ether,n-propyl ether,di-n-propyl ether,propane, 1,1'-oxybis,dipropyl oxide,4-oxaheptane,ether, di-n-propyl,1,1'-oxybispropane,unii-42q250hs4g PubChem CID: 8114 IUPAC Name: 1-propoxypropane SMILES: CCCOCCC
| PubChem CID | 8114 |
|---|---|
| CAS | 111-43-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00009376 |
| SMILES | CCCOCCC |
| Synonym | dipropyl ether,propyl ether,n-propyl ether,di-n-propyl ether,propane, 1,1'-oxybis,dipropyl oxide,4-oxaheptane,ether, di-n-propyl,1,1'-oxybispropane,unii-42q250hs4g |
| IUPAC Name | 1-propoxypropane |
| InChI Key | POLCUAVZOMRGSN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
1-(3-Aminophenyl)ethanol, 98%
CAS: 2454-37-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007798 InChI Key: QPKNDHZQPGMLCJ-UHFFFAOYSA-N Synonym: 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl PubChem CID: 222461 IUPAC Name: 1-(3-aminophenyl)ethanol SMILES: CC(C1=CC(=CC=C1)N)O
| PubChem CID | 222461 |
|---|---|
| CAS | 2454-37-7 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00007798 |
| SMILES | CC(C1=CC(=CC=C1)N)O |
| Synonym | 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl |
| IUPAC Name | 1-(3-aminophenyl)ethanol |
| InChI Key | QPKNDHZQPGMLCJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Acetyl-6-bromopyridine, 97%
CAS: 49669-13-8 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00272200 InChI Key: RUJTWTUYVOEEFW-UHFFFAOYSA-N Synonym: 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f PubChem CID: 11298578 IUPAC Name: 1-(6-bromopyridin-2-yl)ethanone SMILES: CC(=O)C1=NC(=CC=C1)Br
| PubChem CID | 11298578 |
|---|---|
| CAS | 49669-13-8 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00272200 |
| SMILES | CC(=O)C1=NC(=CC=C1)Br |
| Synonym | 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f |
| IUPAC Name | 1-(6-bromopyridin-2-yl)ethanone |
| InChI Key | RUJTWTUYVOEEFW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
2,6-Pyridinedimethanol, 98%
CAS: 1195-59-1 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.15 MDL Number: MFCD00006351 InChI Key: WWFMINHWJYHXHF-UHFFFAOYSA-N Synonym: 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol PubChem CID: 70957 IUPAC Name: [6-(hydroxymethyl)pyridin-2-yl]methanol SMILES: C1=CC(=NC(=C1)CO)CO
| PubChem CID | 70957 |
|---|---|
| CAS | 1195-59-1 |
| Molecular Weight (g/mol) | 139.15 |
| MDL Number | MFCD00006351 |
| SMILES | C1=CC(=NC(=C1)CO)CO |
| Synonym | 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol |
| IUPAC Name | [6-(hydroxymethyl)pyridin-2-yl]methanol |
| InChI Key | WWFMINHWJYHXHF-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
5'-Bromo-2'-hydroxy-3'-nitroacetophenone, 97%
CAS: 70978-54-0 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD01631134 InChI Key: CLNIBJASCGZXHH-UHFFFAOYSA-N PubChem CID: 689071 IUPAC Name: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O
| PubChem CID | 689071 |
|---|---|
| CAS | 70978-54-0 |
| Molecular Weight (g/mol) | 260.04 |
| MDL Number | MFCD01631134 |
| SMILES | CC(=O)C1=CC(Br)=CC(=C1O)[N+]([O-])=O |
| IUPAC Name | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one |
| InChI Key | CLNIBJASCGZXHH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
1,5-Pentanediol, 97%
CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
1-Benzothiophene-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 10133-30-9 Molecular Formula: C9H6OS Molecular Weight (g/mol): 162.21 MDL Number: MFCD05663673 InChI Key: QHHRWAPVYHRAJA-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carbaldehyde,benzo b thiophene-5-carboxaldehyde,5-formylbenzo b thiophene,1-benzothiophene-5-carboxaldehyde,benzothiophene-5-carbaldehyde,5-thionaphthenecarbaldehyde PubChem CID: 139097 IUPAC Name: 1-benzothiophene-5-carbaldehyde SMILES: O=CC1=CC=C2SC=CC2=C1
| PubChem CID | 139097 |
|---|---|
| CAS | 10133-30-9 |
| Molecular Weight (g/mol) | 162.21 |
| MDL Number | MFCD05663673 |
| SMILES | O=CC1=CC=C2SC=CC2=C1 |
| Synonym | benzo b thiophene-5-carbaldehyde,benzo b thiophene-5-carboxaldehyde,5-formylbenzo b thiophene,1-benzothiophene-5-carboxaldehyde,benzothiophene-5-carbaldehyde,5-thionaphthenecarbaldehyde |
| IUPAC Name | 1-benzothiophene-5-carbaldehyde |
| InChI Key | QHHRWAPVYHRAJA-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS |