Organooxygen compounds
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Riboflavin, USP, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
2-Acetylthiophene, 98%
CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1
| PubChem CID | 6920 |
|---|---|
| CAS | 88-15-3 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00005442 |
| SMILES | CC(=O)C1=CC=CS1 |
| Synonym | 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone |
| IUPAC Name | 1-thiophen-2-ylethanone |
| InChI Key | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
3-Formylthiophene-2-boronic acid, 97%
CAS: 17303-83-2 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.962 MDL Number: MFCD01075679 InChI Key: HYXMHAHVUFTVFZ-UHFFFAOYSA-N Synonym: 3-formylthiophen-2-yl boronic acid,3-formylthiophene-2-boronic acid,3-formyl-2-thienyl boronic acid,3-formyl-2-thiopheneboronic acid,3-formylthiophen-2-yl-2-boronic acid,3-formyl-2-thienylboronic acid,3-thiophenecarbaldehyde boronic acid,boronic acid, 3-formyl-2-thienyl,3-formylthiophen-2-boronic acid,boronic acid,b-3-formyl-2-thienyl PubChem CID: 2773429 IUPAC Name: (3-formylthiophen-2-yl)boronic acid SMILES: B(C1=C(C=CS1)C=O)(O)O
| PubChem CID | 2773429 |
|---|---|
| CAS | 17303-83-2 |
| Molecular Weight (g/mol) | 155.962 |
| MDL Number | MFCD01075679 |
| SMILES | B(C1=C(C=CS1)C=O)(O)O |
| Synonym | 3-formylthiophen-2-yl boronic acid,3-formylthiophene-2-boronic acid,3-formyl-2-thienyl boronic acid,3-formyl-2-thiopheneboronic acid,3-formylthiophen-2-yl-2-boronic acid,3-formyl-2-thienylboronic acid,3-thiophenecarbaldehyde boronic acid,boronic acid, 3-formyl-2-thienyl,3-formylthiophen-2-boronic acid,boronic acid,b-3-formyl-2-thienyl |
| IUPAC Name | (3-formylthiophen-2-yl)boronic acid |
| InChI Key | HYXMHAHVUFTVFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |
5-Ethyl-2-(2-hydroxyethyl)pyridine, 98%
CAS: 5223-06-3 MDL Number: MFCD00129040
| CAS | 5223-06-3 |
|---|---|
| MDL Number | MFCD00129040 |
2,2,3,3-Tetrafluorocyclobutanol, 95%
CAS: 374-32-3 Molecular Formula: C4H4F4O Molecular Weight (g/mol): 144.069 MDL Number: MFCD00190085 InChI Key: FNENUTDUAXPVTF-UHFFFAOYSA-N Synonym: 2,2,3,3-tetrafluorocyclobutanol,cyclobutanol, 2,2,3,3-tetrafluoro,cyclobutanol,2,2,3,3-tetrafluoro PubChem CID: 2776621 IUPAC Name: 2,2,3,3-tetrafluorocyclobutan-1-ol SMILES: C1C(C(C1(F)F)(F)F)O
| PubChem CID | 2776621 |
|---|---|
| CAS | 374-32-3 |
| Molecular Weight (g/mol) | 144.069 |
| MDL Number | MFCD00190085 |
| SMILES | C1C(C(C1(F)F)(F)F)O |
| Synonym | 2,2,3,3-tetrafluorocyclobutanol,cyclobutanol, 2,2,3,3-tetrafluoro,cyclobutanol,2,2,3,3-tetrafluoro |
| IUPAC Name | 2,2,3,3-tetrafluorocyclobutan-1-ol |
| InChI Key | FNENUTDUAXPVTF-UHFFFAOYSA-N |
| Molecular Formula | C4H4F4O |
1-Ethynylcyclopentanol, 98+%
CAS: 17356-19-3 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00001365 InChI Key: LQMDOONLLAJAPZ-UHFFFAOYSA-N Synonym: 1-ethynylcyclopentanol,cyclopentanol, 1-ethynyl,1-ethynyl-1-cyclopentanol,cyclopentyl ethynyl carbinol,1-ethynyl-cyclopentan-1-ol,acmc-20abvz,1-ethinylcyclopentanol,1-ethynyl-cyclopentanol,cyclopentanol, ethynyl,1-ethynylcyclopentanol ? PubChem CID: 87074 IUPAC Name: 1-ethynylcyclopentan-1-ol SMILES: C#CC1(CCCC1)O
| PubChem CID | 87074 |
|---|---|
| CAS | 17356-19-3 |
| Molecular Weight (g/mol) | 110.156 |
| MDL Number | MFCD00001365 |
| SMILES | C#CC1(CCCC1)O |
| Synonym | 1-ethynylcyclopentanol,cyclopentanol, 1-ethynyl,1-ethynyl-1-cyclopentanol,cyclopentyl ethynyl carbinol,1-ethynyl-cyclopentan-1-ol,acmc-20abvz,1-ethinylcyclopentanol,1-ethynyl-cyclopentanol,cyclopentanol, ethynyl,1-ethynylcyclopentanol ? |
| IUPAC Name | 1-ethynylcyclopentan-1-ol |
| InChI Key | LQMDOONLLAJAPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H10O |
3,4-Hexanedione, 94%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
trans-2-Decenal, 95%
CAS: 3913-81-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014679 InChI Key: MMFCJPPRCYDLLZ-CMDGGOBGSA-N Synonym: trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e PubChem CID: 5283345 SMILES: CCCCCCC\C=C\C=O
| PubChem CID | 5283345 |
|---|---|
| CAS | 3913-81-3 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00014679 |
| SMILES | CCCCCCC\C=C\C=O |
| Synonym | trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e |
| InChI Key | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
| Molecular Formula | C10H18O |
2,3:4,5-Di-O-isopropylidene-D-arabitol, 98%, Thermo Scientific Chemicals
CAS: 19139-74-3 Molecular Formula: C11H20O5 Molecular Weight (g/mol): 232.28 MDL Number: MFCD00063387 InChI Key: FBIWGPWXTDOFQR-UHFFFAOYNA-N Synonym: 2-o,3-o:4-o,5-o-diisopropylidene-d-arabinitol PubChem CID: 11042611 IUPAC Name: [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(C)OCC(O1)C1OC(C)(C)OC1CO
| PubChem CID | 11042611 |
|---|---|
| CAS | 19139-74-3 |
| Molecular Weight (g/mol) | 232.28 |
| MDL Number | MFCD00063387 |
| SMILES | CC1(C)OCC(O1)C1OC(C)(C)OC1CO |
| Synonym | 2-o,3-o:4-o,5-o-diisopropylidene-d-arabinitol |
| IUPAC Name | [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | FBIWGPWXTDOFQR-UHFFFAOYNA-N |
| Molecular Formula | C11H20O5 |
2-(4-Aminophenyl)ethanol, 97%
CAS: 104-10-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007922 InChI Key: QXHDYMUPPXAMPQ-UHFFFAOYSA-N Synonym: 2-4-aminophenyl ethanol,4-aminophenethyl alcohol,p-aminophenethyl alcohol,p-aminophenylethanol,benzeneethanol, 4-amino,2-p-aminophenyl ethanol,2-4-aminophenyl ethan-1-ol,4-2-hydroxyethyl aniline,benzeneethanol, ar-amino,p-2-hydroxyethyl aniline PubChem CID: 66904 IUPAC Name: 2-(4-aminophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)N
| PubChem CID | 66904 |
|---|---|
| CAS | 104-10-9 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00007922 |
| SMILES | C1=CC(=CC=C1CCO)N |
| Synonym | 2-4-aminophenyl ethanol,4-aminophenethyl alcohol,p-aminophenethyl alcohol,p-aminophenylethanol,benzeneethanol, 4-amino,2-p-aminophenyl ethanol,2-4-aminophenyl ethan-1-ol,4-2-hydroxyethyl aniline,benzeneethanol, ar-amino,p-2-hydroxyethyl aniline |
| IUPAC Name | 2-(4-aminophenyl)ethanol |
| InChI Key | QXHDYMUPPXAMPQ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
(Heptafluorobutyro)phenone, 99%
CAS: 559-91-1 Molecular Formula: C10H5F7O Molecular Weight (g/mol): 274.138 MDL Number: MFCD00077552 InChI Key: UKYZDGAVBNKBPQ-UHFFFAOYSA-N Synonym: heptafluoropropyl phenyl ketone,heptafluorobutyrophenone,phenyl heptafluoropropyl ketone,pubchem20274,heptafluorobutyro phenone,1-heptafluorobutyryl benzene,heptafluoropropylphenylketone,2,2,3,3,4,4,4-heptafluoro-1-phenyl-butan-1-one PubChem CID: 238424 IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-phenylbutan-1-one SMILES: C1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 238424 |
|---|---|
| CAS | 559-91-1 |
| Molecular Weight (g/mol) | 274.138 |
| MDL Number | MFCD00077552 |
| SMILES | C1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Synonym | heptafluoropropyl phenyl ketone,heptafluorobutyrophenone,phenyl heptafluoropropyl ketone,pubchem20274,heptafluorobutyro phenone,1-heptafluorobutyryl benzene,heptafluoropropylphenylketone,2,2,3,3,4,4,4-heptafluoro-1-phenyl-butan-1-one |
| IUPAC Name | 2,2,3,3,4,4,4-heptafluoro-1-phenylbutan-1-one |
| InChI Key | UKYZDGAVBNKBPQ-UHFFFAOYSA-N |
| Molecular Formula | C10H5F7O |
Fluoromethyl 1,1,1,3,3,3-hexafluoroisopropyl ether, 98+%
CAS: 28523-86-6 Molecular Formula: C4H3F7O Molecular Weight (g/mol): 200.056 MDL Number: MFCD00153189 InChI Key: DFEYYRMXOJXZRJ-UHFFFAOYSA-N Synonym: sevoflurane,sevofluran,ultane,1,1,1,3,3,3-hexafluoro-2-fluoromethoxy propane,sevoflurano,sevofluranum,sevorane,sojourn,mr6s4,sevofluranum inn-latin PubChem CID: 5206 ChEBI: CHEBI:9130 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane SMILES: C(OC(C(F)(F)F)C(F)(F)F)F
| PubChem CID | 5206 |
|---|---|
| CAS | 28523-86-6 |
| Molecular Weight (g/mol) | 200.056 |
| ChEBI | CHEBI:9130 |
| MDL Number | MFCD00153189 |
| SMILES | C(OC(C(F)(F)F)C(F)(F)F)F |
| Synonym | sevoflurane,sevofluran,ultane,1,1,1,3,3,3-hexafluoro-2-fluoromethoxy propane,sevoflurano,sevofluranum,sevorane,sojourn,mr6s4,sevofluranum inn-latin |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane |
| InChI Key | DFEYYRMXOJXZRJ-UHFFFAOYSA-N |
| Molecular Formula | C4H3F7O |
3-Phenyl-2-propyn-1-ol, 97%
CAS: 1504-58-1 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00040914 InChI Key: NITUNGCLDSFVDL-UHFFFAOYSA-N Synonym: 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol PubChem CID: 123115 IUPAC Name: 3-phenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CCO
| PubChem CID | 123115 |
|---|---|
| CAS | 1504-58-1 |
| Molecular Weight (g/mol) | 132.162 |
| MDL Number | MFCD00040914 |
| SMILES | C1=CC=C(C=C1)C#CCO |
| Synonym | 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol |
| IUPAC Name | 3-phenylprop-2-yn-1-ol |
| InChI Key | NITUNGCLDSFVDL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
2'-Bromo-4'-fluoroacetophenone, 98%
CAS: 1006-39-9 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00077464 InChI Key: RCXFSBRMWBFWMH-UHFFFAOYSA-N Synonym: 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 PubChem CID: 2736304 IUPAC Name: 1-(2-bromo-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(Br)C=C(F)C=C1
| PubChem CID | 2736304 |
|---|---|
| CAS | 1006-39-9 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00077464 |
| SMILES | CC(=O)C1=C(Br)C=C(F)C=C1 |
| Synonym | 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)ethanone |
| InChI Key | RCXFSBRMWBFWMH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
6-Ethoxy-2-mercaptobenzothiazole, 99%
CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2
| PubChem CID | 719344 |
|---|---|
| CAS | 120-53-6 |
| Molecular Weight (g/mol) | 211.297 |
| MDL Number | MFCD00005782 |
| SMILES | CCOC1=CC2=C(C=C1)NC(=S)S2 |
| Synonym | 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy |
| IUPAC Name | 6-ethoxy-3H-1,3-benzothiazole-2-thione |
| InChI Key | HOASVNMVYBSLSU-UHFFFAOYSA-N |
| Molecular Formula | C9H9NOS2 |