Organooxygen compounds
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Butyroin 96.0+%, TCI America™
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CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
| PubChem CID | 219794 |
|---|---|
| CAS | 496-77-5 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00021928 |
| SMILES | CCCC(O)C(=O)CCC |
| Synonym | butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone |
| IUPAC Name | 5-hydroxyoctan-4-one |
| InChI Key | BVEYJWQCMOVMAR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt 98.0+%, TCI America™
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CAS: 6258-06-6 Molecular Formula: C14H7BrNNaO5S Molecular Weight (g/mol): 404.17 MDL Number: MFCD00019160 InChI Key: TXMRAEGWZZVGIH-UHFFFAOYSA-M Synonym: Bromaminic Acid Sodium Salt PubChem CID: 5076555 IUPAC Name: sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]
| PubChem CID | 5076555 |
|---|---|
| CAS | 6258-06-6 |
| Molecular Weight (g/mol) | 404.17 |
| MDL Number | MFCD00019160 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+] |
| Synonym | Bromaminic Acid Sodium Salt |
| IUPAC Name | sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate |
| InChI Key | TXMRAEGWZZVGIH-UHFFFAOYSA-M |
| Molecular Formula | C14H7BrNNaO5S |
3,5-Dichlorobenzaldehyde 97.0+%, TCI America™
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CAS: 10203-08-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003352 InChI Key: CASRSOJWLARCRX-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 PubChem CID: 35746 IUPAC Name: 3,5-dichlorobenzaldehyde SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
| PubChem CID | 35746 |
|---|---|
| CAS | 10203-08-4 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003352 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 |
| IUPAC Name | 3,5-dichlorobenzaldehyde |
| InChI Key | CASRSOJWLARCRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
2-Methyl-2-propyl-1,3-propanediol 98.0+%, TCI America™
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CAS: 78-26-2 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00004696 InChI Key: JVZZUPJFERSVRN-UHFFFAOYSA-N Synonym: 2-methyl-2-propyl-1,3-propanediol,2,2-bis hydroxymethyl pentane,1,3-propanediol, 2-methyl-2-propyl,2-methyl-2-n-propyl-1,3-propanediol,unii-ylm5kru0p4,2,2-dimethylolpentane,ylm5kru0p4,2-methyl-2-propyl-propane-1,3-diol,carisoprodol impurity c,acmc-1basp PubChem CID: 66220 IUPAC Name: 2-methyl-2-propylpropane-1,3-diol SMILES: CCCC(C)(CO)CO
| PubChem CID | 66220 |
|---|---|
| CAS | 78-26-2 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00004696 |
| SMILES | CCCC(C)(CO)CO |
| Synonym | 2-methyl-2-propyl-1,3-propanediol,2,2-bis hydroxymethyl pentane,1,3-propanediol, 2-methyl-2-propyl,2-methyl-2-n-propyl-1,3-propanediol,unii-ylm5kru0p4,2,2-dimethylolpentane,ylm5kru0p4,2-methyl-2-propyl-propane-1,3-diol,carisoprodol impurity c,acmc-1basp |
| IUPAC Name | 2-methyl-2-propylpropane-1,3-diol |
| InChI Key | JVZZUPJFERSVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
3-Bromo-2-methoxypyridine 98.0+%, TCI America™
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CAS: 13472-59-8 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD03095349 InChI Key: PORGLLGXCAQORO-UHFFFAOYSA-N Synonym: 2-methoxy-3-bromopyridine,3-bromo-2-methoxy-pyridine,3-brown-2-methoxypyridine,pyridine, 3-bromo-2-methoxy,tspp decahydrate,pubchem1180,2-methoxybromopyridine,acmc-209bwq,ksc494g7f,3-bromanyl-2-methoxy-pyridine PubChem CID: 12533390 IUPAC Name: 3-bromo-2-methoxypyridine SMILES: COC1=C(Br)C=CC=N1
| PubChem CID | 12533390 |
|---|---|
| CAS | 13472-59-8 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD03095349 |
| SMILES | COC1=C(Br)C=CC=N1 |
| Synonym | 2-methoxy-3-bromopyridine,3-bromo-2-methoxy-pyridine,3-brown-2-methoxypyridine,pyridine, 3-bromo-2-methoxy,tspp decahydrate,pubchem1180,2-methoxybromopyridine,acmc-209bwq,ksc494g7f,3-bromanyl-2-methoxy-pyridine |
| IUPAC Name | 3-bromo-2-methoxypyridine |
| InChI Key | PORGLLGXCAQORO-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
4'-Bromo-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=C(O)C=C(Br)C=C1
| PubChem CID | 10727403 |
|---|---|
| CAS | 30186-18-6 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD03428533 |
| SMILES | CC(=O)C1=C(O)C=C(Br)C=C1 |
| Synonym | 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-2-hydroxyphenyl)ethan-1-one |
| InChI Key | LQCMMXGKEGWUIM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Molsidomine 98.0+%, TCI America™
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CAS: 25717-80-0 Molecular Formula: C9H14N4O4 Molecular Weight (g/mol): 242.235 MDL Number: MFCD00869301 InChI Key: XLFWDASMENKTKL-UHFFFAOYSA-N PubChem CID: 5353788 IUPAC Name: (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate SMILES: CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
| PubChem CID | 5353788 |
|---|---|
| CAS | 25717-80-0 |
| Molecular Weight (g/mol) | 242.235 |
| MDL Number | MFCD00869301 |
| SMILES | CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-] |
| IUPAC Name | (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate |
| InChI Key | XLFWDASMENKTKL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N4O4 |
Benzo-12-crown 4-Ether 98.0+%, TCI America™
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CAS: 14174-08-4 Molecular Formula: C12H16O4 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00059934 InChI Key: OAJNZFCPJVBYHB-UHFFFAOYSA-N Synonym: 2,3-Benzo-1,4,7,10-tetraoxadodec-2-ene PubChem CID: 586075 IUPAC Name: 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine SMILES: C1COCCOC2=CC=CC=C2OCCO1
| PubChem CID | 586075 |
|---|---|
| CAS | 14174-08-4 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00059934 |
| SMILES | C1COCCOC2=CC=CC=C2OCCO1 |
| Synonym | 2,3-Benzo-1,4,7,10-tetraoxadodec-2-ene |
| IUPAC Name | 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine |
| InChI Key | OAJNZFCPJVBYHB-UHFFFAOYSA-N |
| Molecular Formula | C12H16O4 |
tert-Butyl 4-Formylbenzoate 98.0+%, TCI America™
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CAS: 65874-27-3 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD01111994 InChI Key: DUNFNBQQWYQKFE-UHFFFAOYSA-N Synonym: 4-Formylbenzoic Acid tert-Butyl Ester, 4-(tert-Butoxycarbonyl)benzaldehyde PubChem CID: 2751588 IUPAC Name: tert-butyl 4-formylbenzoate SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C=O
| PubChem CID | 2751588 |
|---|---|
| CAS | 65874-27-3 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD01111994 |
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)C=O |
| Synonym | 4-Formylbenzoic Acid tert-Butyl Ester, 4-(tert-Butoxycarbonyl)benzaldehyde |
| IUPAC Name | tert-butyl 4-formylbenzoate |
| InChI Key | DUNFNBQQWYQKFE-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
2,4-Dimethoxy-1,3,5-triazine 98.0+%, TCI America™
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CAS: 1898-72-2 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 InChI Key: RIRBAVAYPRSMRH-UHFFFAOYSA-N PubChem CID: 243963 IUPAC Name: 2,4-dimethoxy-1,3,5-triazine SMILES: COC1=NC(=NC=N1)OC
| PubChem CID | 243963 |
|---|---|
| CAS | 1898-72-2 |
| Molecular Weight (g/mol) | 141.13 |
| SMILES | COC1=NC(=NC=N1)OC |
| IUPAC Name | 2,4-dimethoxy-1,3,5-triazine |
| InChI Key | RIRBAVAYPRSMRH-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O2 |
1H,1H,2H,2H,3H,3H-Tridecafluoro-1-nonanol 98.0+%, TCI America™
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CAS: 80806-68-4 Molecular Formula: C9H7F13O Molecular Weight (g/mol): 378.133 MDL Number: MFCD00077578 InChI Key: HMGDEQANNRNNKX-UHFFFAOYSA-N Synonym: 3-(Perfluorohexyl)propanol PubChem CID: 2776181 IUPAC Name: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
| PubChem CID | 2776181 |
|---|---|
| CAS | 80806-68-4 |
| Molecular Weight (g/mol) | 378.133 |
| MDL Number | MFCD00077578 |
| SMILES | C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO |
| Synonym | 3-(Perfluorohexyl)propanol |
| IUPAC Name | 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol |
| InChI Key | HMGDEQANNRNNKX-UHFFFAOYSA-N |
| Molecular Formula | C9H7F13O |
5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 27006-76-4 Molecular Formula: C6H7ClN2O Molecular Weight (g/mol): 158.585 MDL Number: MFCD00052538 InChI Key: SZRSMNYUEXXEBL-UHFFFAOYSA-N Synonym: 5-chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde,5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl pyrazole-4-aldehyde,5-chloro-1,3-dimethylpyrazole-4-carboxaldehyde,5-chloro-4-formyl-1,3-dimethylpyrazole,5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde,1h-pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl,pubchem23629,acmc-20a2nm,ksc496s9t PubChem CID: 2777397 IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde SMILES: CC1=NN(C(=C1C=O)Cl)C
| PubChem CID | 2777397 |
|---|---|
| CAS | 27006-76-4 |
| Molecular Weight (g/mol) | 158.585 |
| MDL Number | MFCD00052538 |
| SMILES | CC1=NN(C(=C1C=O)Cl)C |
| Synonym | 5-chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde,5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl pyrazole-4-aldehyde,5-chloro-1,3-dimethylpyrazole-4-carboxaldehyde,5-chloro-4-formyl-1,3-dimethylpyrazole,5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde,1h-pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl,pubchem23629,acmc-20a2nm,ksc496s9t |
| IUPAC Name | 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde |
| InChI Key | SZRSMNYUEXXEBL-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2O |
3-Mercapto-1-propanol 97.0+%, TCI America™
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CAS: 19721-22-3 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.156 MDL Number: MFCD00192262 InChI Key: SHLSSLVZXJBVHE-UHFFFAOYSA-N Synonym: 3-mercapto-1-propanol,1-propanol, 3-mercapto,3-mercaptopropanol,3-hydroxypropanethiol,3-hydroxypropyl mercaptan,3-mecapto-1-propanol,3-mecaptopropan-1-ol,1-mercapto-3-propanol,3-hydroxypropylmercaptan,3-mercaptopropan-1-ol PubChem CID: 88211 IUPAC Name: 3-sulfanylpropan-1-ol SMILES: C(CO)CS
| PubChem CID | 88211 |
|---|---|
| CAS | 19721-22-3 |
| Molecular Weight (g/mol) | 92.156 |
| MDL Number | MFCD00192262 |
| SMILES | C(CO)CS |
| Synonym | 3-mercapto-1-propanol,1-propanol, 3-mercapto,3-mercaptopropanol,3-hydroxypropanethiol,3-hydroxypropyl mercaptan,3-mecapto-1-propanol,3-mecaptopropan-1-ol,1-mercapto-3-propanol,3-hydroxypropylmercaptan,3-mercaptopropan-1-ol |
| IUPAC Name | 3-sulfanylpropan-1-ol |
| InChI Key | SHLSSLVZXJBVHE-UHFFFAOYSA-N |
| Molecular Formula | C3H8OS |
Ipriflavone 98.0+%, TCI America™
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CAS: 35212-22-7 Molecular Formula: C18H16O3 Molecular Weight (g/mol): 280.32 MDL Number: MFCD00221719 InChI Key: SFBODOKJTYAUCM-UHFFFAOYSA-N Synonym: ipriflavone,osten,yambolap,osteofix,7-isopropoxyisoflavone,iprosten,ipriflavonum,ipriflavona,osteoquine,quinogin PubChem CID: 3747 ChEBI: CHEBI:31719 IUPAC Name: 3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one SMILES: CC(C)OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=CC=C1
| PubChem CID | 3747 |
|---|---|
| CAS | 35212-22-7 |
| Molecular Weight (g/mol) | 280.32 |
| ChEBI | CHEBI:31719 |
| MDL Number | MFCD00221719 |
| SMILES | CC(C)OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=CC=C1 |
| Synonym | ipriflavone,osten,yambolap,osteofix,7-isopropoxyisoflavone,iprosten,ipriflavonum,ipriflavona,osteoquine,quinogin |
| IUPAC Name | 3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one |
| InChI Key | SFBODOKJTYAUCM-UHFFFAOYSA-N |
| Molecular Formula | C18H16O3 |
3-Bromophenacyl Bromide 98.0+%, TCI America™
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CAS: 18523-22-3 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00082698 InChI Key: MZBXSQBQPJWECM-UHFFFAOYSA-N Synonym: 3-bromophenacyl bromide,2,3'-dibromoacetophenone,2-bromo-1-3-bromophenyl ethanone,ethanone, 2-bromo-1-3-bromophenyl,2-bromo-1-3-bromophenyl ethan-1-one,3-bromophenacylbromide,2-bromo-1-3-bromo-phenyl-ethanone,2-bromo-3'-bromoacetophenone,2-bromo-1-3-bromophenyl-1-ethanone PubChem CID: 519585 IUPAC Name: 2-bromo-1-(3-bromophenyl)ethanone SMILES: C1=CC(=CC(=C1)Br)C(=O)CBr
| PubChem CID | 519585 |
|---|---|
| CAS | 18523-22-3 |
| Molecular Weight (g/mol) | 277.943 |
| MDL Number | MFCD00082698 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)CBr |
| Synonym | 3-bromophenacyl bromide,2,3'-dibromoacetophenone,2-bromo-1-3-bromophenyl ethanone,ethanone, 2-bromo-1-3-bromophenyl,2-bromo-1-3-bromophenyl ethan-1-one,3-bromophenacylbromide,2-bromo-1-3-bromo-phenyl-ethanone,2-bromo-3'-bromoacetophenone,2-bromo-1-3-bromophenyl-1-ethanone |
| IUPAC Name | 2-bromo-1-(3-bromophenyl)ethanone |
| InChI Key | MZBXSQBQPJWECM-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O |