Organooxygen compounds
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4-Bromoisatin 98.0+%, TCI America™
CAS: 20780-72-7 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 InChI Key: ITRAKBJPMLKWIW-UHFFFAOYSA-N Synonym: 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione PubChem CID: 4500012 IUPAC Name: 4-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2
| PubChem CID | 4500012 |
|---|---|
| CAS | 20780-72-7 |
| Molecular Weight (g/mol) | 226.029 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 |
| Synonym | 4-Bromoindole-2,3-dione, 4-Bromo-2,3-indolinedione |
| IUPAC Name | 4-bromo-1H-indole-2,3-dione |
| InChI Key | ITRAKBJPMLKWIW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
Tris(hexafluoroacetylacetonato)iron(III) 95.0+%, TCI America™
CAS: 17786-67-3 Molecular Formula: C15H3F18FeO6 Molecular Weight (g/mol): 676.999 MDL Number: MFCD00059457 InChI Key: NBPRJLXRDBDIFS-VRBCMZOBSA-K Synonym: Ferric(III) Hexafluoroacetylacetonate, Hexafluoroacetylacetono Iron(III) Salt, Iron(III) Hexafluoroacetylacetonate PubChem CID: 53384549 IUPAC Name: (E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;iron(3+) SMILES: C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.[Fe+3]
| PubChem CID | 53384549 |
|---|---|
| CAS | 17786-67-3 |
| Molecular Weight (g/mol) | 676.999 |
| MDL Number | MFCD00059457 |
| SMILES | C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.[Fe+3] |
| Synonym | Ferric(III) Hexafluoroacetylacetonate, Hexafluoroacetylacetono Iron(III) Salt, Iron(III) Hexafluoroacetylacetonate |
| IUPAC Name | (E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;iron(3+) |
| InChI Key | NBPRJLXRDBDIFS-VRBCMZOBSA-K |
| Molecular Formula | C15H3F18FeO6 |
Hexachloroacetone 98.0+%, TCI America™
CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
trans,trans-2,4-Heptadienal 90.0+%, TCI America™
CAS: 4313-03-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD00007005 InChI Key: SATICYYAWWYRAM-VNKDHWASSA-N PubChem CID: 5283321 IUPAC Name: (2E,4E)-hepta-2,4-dienal SMILES: CCC=CC=CC=O
| PubChem CID | 5283321 |
|---|---|
| CAS | 4313-03-5 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD00007005 |
| SMILES | CCC=CC=CC=O |
| IUPAC Name | (2E,4E)-hepta-2,4-dienal |
| InChI Key | SATICYYAWWYRAM-VNKDHWASSA-N |
| Molecular Formula | C7H10O |
Vanillin 98.0+%, TCI America™
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Benzyloxyindole 98.0+%, TCI America™
CAS: 20289-26-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 InChI Key: LJFVSIDBFJPKLD-UHFFFAOYSA-N Synonym: 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; PubChem CID: 88465 IUPAC Name: 4-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3
| PubChem CID | 88465 |
|---|---|
| CAS | 20289-26-3 |
| Molecular Weight (g/mol) | 223.275 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3 |
| Synonym | 4-benzyloxyindole,4-benzyloxy-1h-indole,4-phenylmethoxy-1h-indole,1h-indole, 4-phenylmethoxy,4-benzyloxy-indole,4-phenylmethoxy indole,4-benzoxyindole,4-benzyloxy-indol,4-benzyloxyindole; |
| IUPAC Name | 4-phenylmethoxy-1H-indole |
| InChI Key | LJFVSIDBFJPKLD-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
2-Bromo-6-methoxypyridine 97.0+%, TCI America™
CAS: 40473-07-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD00088345 InChI Key: KMODISUYWZPVGV-UHFFFAOYSA-N Synonym: 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin PubChem CID: 256810 IUPAC Name: 2-bromo-6-methoxypyridine SMILES: COC1=CC=CC(Br)=N1
| PubChem CID | 256810 |
|---|---|
| CAS | 40473-07-2 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD00088345 |
| SMILES | COC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-methoxy-pyridine,pyridine, 2-bromo-6-methoxy,6-bromo-2-methoxypyridine,2-methoxy-6-bromo pyridine,buttpark 82\06-06,2-brom-6-methoxypyridin,zlchem 781,pubchem9206,acmc-209jec,2-bromo-6-methoxy-pyridin |
| IUPAC Name | 2-bromo-6-methoxypyridine |
| InChI Key | KMODISUYWZPVGV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
2-Benzoylthiophene 98.0+%, TCI America™
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 |
1-Bromoanthraquinone 95.0+%, TCI America™
CAS: 632-83-7 Molecular Formula: C14H7BrO2 Molecular Weight (g/mol): 287.112 InChI Key: CXTPIHZYOGDSLV-UHFFFAOYSA-N PubChem CID: 12444 IUPAC Name: 1-bromoanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br
| PubChem CID | 12444 |
|---|---|
| CAS | 632-83-7 |
| Molecular Weight (g/mol) | 287.112 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br |
| IUPAC Name | 1-bromoanthracene-9,10-dione |
| InChI Key | CXTPIHZYOGDSLV-UHFFFAOYSA-N |
| Molecular Formula | C14H7BrO2 |
2-Bromo-3'-nitroacetophenone 97.0+%, TCI America™
CAS: 2227-64-7 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00024512 InChI Key: GZHPNIQBPGUSSX-UHFFFAOYSA-N Synonym: 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide PubChem CID: 75213 IUPAC Name: 2-bromo-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr
| PubChem CID | 75213 |
|---|---|
| CAS | 2227-64-7 |
| Molecular Weight (g/mol) | 244.044 |
| MDL Number | MFCD00024512 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr |
| Synonym | 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide |
| IUPAC Name | 2-bromo-1-(3-nitrophenyl)ethanone |
| InChI Key | GZHPNIQBPGUSSX-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
4-tert-Butoxybenzaldehyde 98.0+%, TCI America™
CAS: 57699-45-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00040800 InChI Key: VWSFZYXXQDKXKQ-UHFFFAOYSA-N Synonym: 4-tert-butoxy benzaldehyde,4-tert-butoxybenzaldehyde,p-tert-butoxybenzaldehyde,benzaldehyde, 4-1,1-dimethylethoxy,4-2-methylpropan-2-yl oxy benzaldehyde,4-t-butoxybenzaldehyde,acmc-209lzx,4-t-butyloxybenzaldehyde,4-t-butoxy benzaldehyde,p-tert.-butoxy-benzaldehyde PubChem CID: 93774 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]benzaldehyde SMILES: CC(C)(C)OC1=CC=C(C=C1)C=O
| PubChem CID | 93774 |
|---|---|
| CAS | 57699-45-3 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00040800 |
| SMILES | CC(C)(C)OC1=CC=C(C=C1)C=O |
| Synonym | 4-tert-butoxy benzaldehyde,4-tert-butoxybenzaldehyde,p-tert-butoxybenzaldehyde,benzaldehyde, 4-1,1-dimethylethoxy,4-2-methylpropan-2-yl oxy benzaldehyde,4-t-butoxybenzaldehyde,acmc-209lzx,4-t-butyloxybenzaldehyde,4-t-butoxy benzaldehyde,p-tert.-butoxy-benzaldehyde |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxy]benzaldehyde |
| InChI Key | VWSFZYXXQDKXKQ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Ethyl Benzoylacetate 95.0+%, TCI America™
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
1-Bromo-2-methoxymethylnaphthalene 98.0+%, TCI America™
CAS: 64689-70-9 Molecular Formula: C12H11BrO Molecular Weight (g/mol): 251.123 MDL Number: MFCD00059518 InChI Key: ORYVAZPUJFACFR-UHFFFAOYSA-N PubChem CID: 12385765 IUPAC Name: 1-bromo-2-(methoxymethyl)naphthalene SMILES: COCC1=C(C2=CC=CC=C2C=C1)Br
| PubChem CID | 12385765 |
|---|---|
| CAS | 64689-70-9 |
| Molecular Weight (g/mol) | 251.123 |
| MDL Number | MFCD00059518 |
| SMILES | COCC1=C(C2=CC=CC=C2C=C1)Br |
| IUPAC Name | 1-bromo-2-(methoxymethyl)naphthalene |
| InChI Key | ORYVAZPUJFACFR-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO |
1,4-Bis(2-hydroxyethoxy)-2-butyne 50.0+%, TCI America™
CAS: 1606-85-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00002883 InChI Key: IXAWTPMDMPUGLV-UHFFFAOYSA-N Synonym: 1,4-bis 2-hydroxyethoxy-2-butyne,2-4-2-hydroxyethoxy but-2-ynoxy ethanol,unii-8tt85143cr,2,2'-but-2-yne-1,4-diylbis oxy diethanol,ethanol, 2,2'-2-butyne-1,4-diylbis oxy bis,2,2'-but-2-ynylenedioxydiethanol,ethanol, 2,2'-2-butynylenedioxy di,2,2'-2-butyne-1,4-diyldioxy diethanol,2,2'-2-butyne-1,4-diylbis oxy bisethanol,3,8-dioxa-5-decyne-1,10-diol PubChem CID: 62411 IUPAC Name: 2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol SMILES: C(COCC#CCOCCO)O
| PubChem CID | 62411 |
|---|---|
| CAS | 1606-85-5 |
| Molecular Weight (g/mol) | 174.196 |
| MDL Number | MFCD00002883 |
| SMILES | C(COCC#CCOCCO)O |
| Synonym | 1,4-bis 2-hydroxyethoxy-2-butyne,2-4-2-hydroxyethoxy but-2-ynoxy ethanol,unii-8tt85143cr,2,2'-but-2-yne-1,4-diylbis oxy diethanol,ethanol, 2,2'-2-butyne-1,4-diylbis oxy bis,2,2'-but-2-ynylenedioxydiethanol,ethanol, 2,2'-2-butynylenedioxy di,2,2'-2-butyne-1,4-diyldioxy diethanol,2,2'-2-butyne-1,4-diylbis oxy bisethanol,3,8-dioxa-5-decyne-1,10-diol |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol |
| InChI Key | IXAWTPMDMPUGLV-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
5-Bromovanillin 95.0+%, TCI America™
CAS: 2973-76-4 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00006940 InChI Key: KLSHZDPXXKAHIJ-UHFFFAOYSA-N Synonym: 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline PubChem CID: 18099 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(Br)=C1O
| PubChem CID | 18099 |
|---|---|
| CAS | 2973-76-4 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00006940 |
| SMILES | COC1=CC(C=O)=CC(Br)=C1O |
| Synonym | 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline |
| IUPAC Name | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |