Organooxygen compounds
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(S)-(-)-2-Methyl-1-butanol 98.0+%, TCI America™
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CAS: 1565-80-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00064299 InChI Key: QPRQEDXDYOZYLA-YFKPBYRVSA-N Synonym: s---2-methyl-1-butanol,s-2-methyl-1-butanol,s-2-methylbutan-1-ol,1-butanol, 2-methyl-, 2s,2s-2-methylbutan-1-ol,unii-ii2qjb35ic,1-butanol, 2-methyl-, s,2s-2-methyl-1-butanol,s---2-methylbutanol,2-methyl-1-butanol,- PubChem CID: 2723602 ChEBI: CHEBI:50625 IUPAC Name: (2S)-2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 2723602 |
|---|---|
| CAS | 1565-80-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:50625 |
| MDL Number | MFCD00064299 |
| SMILES | CCC(C)CO |
| Synonym | s---2-methyl-1-butanol,s-2-methyl-1-butanol,s-2-methylbutan-1-ol,1-butanol, 2-methyl-, 2s,2s-2-methylbutan-1-ol,unii-ii2qjb35ic,1-butanol, 2-methyl-, s,2s-2-methyl-1-butanol,s---2-methylbutanol,2-methyl-1-butanol,- |
| IUPAC Name | (2S)-2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-YFKPBYRVSA-N |
| Molecular Formula | C5H12O |
Cyclohexaneethanol 98.0+%, TCI America™
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CAS: 4442-79-9 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001525 InChI Key: QJQZRLXDLORINA-UHFFFAOYSA-N Synonym: cyclohexaneethanol,cyclohexylethanol,cyclohexylethyl alcohol,2-cyclohexylethan-1-ol,ethanol, 2-cyclohexyl,hexahydrophenylethyl alcohol,unii-653aok9puo,2-hydroxyethyl cyclohexane,.beta.-cyclohexylethyl alcohol,2-cyclohexyl-ethanol PubChem CID: 20508 IUPAC Name: 2-cyclohexylethanol SMILES: C1CCC(CC1)CCO
| PubChem CID | 20508 |
|---|---|
| CAS | 4442-79-9 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001525 |
| SMILES | C1CCC(CC1)CCO |
| Synonym | cyclohexaneethanol,cyclohexylethanol,cyclohexylethyl alcohol,2-cyclohexylethan-1-ol,ethanol, 2-cyclohexyl,hexahydrophenylethyl alcohol,unii-653aok9puo,2-hydroxyethyl cyclohexane,.beta.-cyclohexylethyl alcohol,2-cyclohexyl-ethanol |
| IUPAC Name | 2-cyclohexylethanol |
| InChI Key | QJQZRLXDLORINA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
(R)-(-)-2-Methoxy-2-(1-naphthyl)propionic Acid 99.0+%, TCI America™
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CAS: 63628-26-2 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.26 MDL Number: MFCD03093633 InChI Key: YVWMPILNFZOQSZ-UHFFFAOYNA-N Synonym: (R)-(-)-alpha-Methoxy-alpha-methyl-1-naphthaleneacetic Acid, (R)-(-)-M alpha NP Acid PubChem CID: 9964629 IUPAC Name: 2-methoxy-2-(naphthalen-1-yl)propanoic acid SMILES: COC(C)(C(O)=O)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 9964629 |
|---|---|
| CAS | 63628-26-2 |
| Molecular Weight (g/mol) | 230.26 |
| MDL Number | MFCD03093633 |
| SMILES | COC(C)(C(O)=O)C1=C2C=CC=CC2=CC=C1 |
| Synonym | (R)-(-)-alpha-Methoxy-alpha-methyl-1-naphthaleneacetic Acid, (R)-(-)-M alpha NP Acid |
| IUPAC Name | 2-methoxy-2-(naphthalen-1-yl)propanoic acid |
| InChI Key | YVWMPILNFZOQSZ-UHFFFAOYNA-N |
| Molecular Formula | C14H14O3 |
6-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Dibenzothiophene-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 23985-81-1 Molecular Formula: C13H8OS Molecular Weight (g/mol): 212.266 MDL Number: MFCD00961967 InChI Key: XESZAOMRYLSHOM-UHFFFAOYSA-N Synonym: dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde PubChem CID: 641359 IUPAC Name: dibenzothiophene-4-carbaldehyde SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O
| PubChem CID | 641359 |
|---|---|
| CAS | 23985-81-1 |
| Molecular Weight (g/mol) | 212.266 |
| MDL Number | MFCD00961967 |
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O |
| Synonym | dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde |
| IUPAC Name | dibenzothiophene-4-carbaldehyde |
| InChI Key | XESZAOMRYLSHOM-UHFFFAOYSA-N |
| Molecular Formula | C13H8OS |
2-(Chloromethoxy)ethyltrimethylsilane (stabilized with Diisopropylethylamine) 95.0+%, TCI America™
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CAS: 76513-69-4 Molecular Formula: C6H15ClOSi Molecular Weight (g/mol): 166.72 MDL Number: MFCD00009919 InChI Key: BPXKZEMBEZGUAH-UHFFFAOYSA-N Synonym: 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride PubChem CID: 2724271 IUPAC Name: 2-(chloromethoxy)ethyl-trimethylsilane SMILES: C[Si](C)(C)CCOCCl
| PubChem CID | 2724271 |
|---|---|
| CAS | 76513-69-4 |
| Molecular Weight (g/mol) | 166.72 |
| MDL Number | MFCD00009919 |
| SMILES | C[Si](C)(C)CCOCCl |
| Synonym | 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride |
| IUPAC Name | 2-(chloromethoxy)ethyl-trimethylsilane |
| InChI Key | BPXKZEMBEZGUAH-UHFFFAOYSA-N |
| Molecular Formula | C6H15ClOSi |
5-Bromo-2-furaldehyde 98.0+%, TCI America™
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CAS: 1899-24-7 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.98 MDL Number: MFCD00159501 InChI Key: WJTFHWXMITZNHS-UHFFFAOYSA-N Synonym: 5-bromo-2-furaldehyde,5-bromofurfural,5-bromo-2-furfural,5-bromofuran-2-carboxaldehyde,5-bromofurancarboxaldehyde,2-furancarboxaldehyde, 5-bromo,5-bromofuraldehyde,5-bromo-furan-2-carbaldehyde,2-furaldehyde, 5-bromo,5-bromo-furfural PubChem CID: 600328 IUPAC Name: 5-bromofuran-2-carbaldehyde SMILES: BrC1=CC=C(O1)C=O
| PubChem CID | 600328 |
|---|---|
| CAS | 1899-24-7 |
| Molecular Weight (g/mol) | 174.98 |
| MDL Number | MFCD00159501 |
| SMILES | BrC1=CC=C(O1)C=O |
| Synonym | 5-bromo-2-furaldehyde,5-bromofurfural,5-bromo-2-furfural,5-bromofuran-2-carboxaldehyde,5-bromofurancarboxaldehyde,2-furancarboxaldehyde, 5-bromo,5-bromofuraldehyde,5-bromo-furan-2-carbaldehyde,2-furaldehyde, 5-bromo,5-bromo-furfural |
| IUPAC Name | 5-bromofuran-2-carbaldehyde |
| InChI Key | WJTFHWXMITZNHS-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
4-tert-Butoxybenzaldehyde 98.0+%, TCI America™
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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 |
Riboflavin, TCI America™
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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 Synonym: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 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
| PubChem CID | 71310809 |
|---|---|
| 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 |
| Synonym | riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin |
| 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-Acetyl-4-methylpyridine 98.0+%, TCI America™
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CAS: 59576-26-0 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD01863638 InChI Key: HRVQMQWVGKYDCF-UHFFFAOYSA-N Synonym: 2-Acetyl-4-picoline PubChem CID: 564760 IUPAC Name: 1-(4-methylpyridin-2-yl)ethanone SMILES: CC1=CC(=NC=C1)C(=O)C
| PubChem CID | 564760 |
|---|---|
| CAS | 59576-26-0 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD01863638 |
| SMILES | CC1=CC(=NC=C1)C(=O)C |
| Synonym | 2-Acetyl-4-picoline |
| IUPAC Name | 1-(4-methylpyridin-2-yl)ethanone |
| InChI Key | HRVQMQWVGKYDCF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Ethyl 4-Chloroacetoacetate 95.0+%, TCI America™
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CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
| PubChem CID | 69484 |
|---|---|
| CAS | 638-07-3 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00000939 |
| SMILES | CCOC(=O)CC(=O)CCl |
| Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
| IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
| InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |
epi-Inositol 98.0+%, TCI America™
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CAS: 488-58-4 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00077932,MFCD00065455,MFCD00003863,MFCD00272608,MFCD00799555,MFCD00799556,MFCD01321249 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: OC1C(O)C(O)C(O)C(O)C1O
| PubChem CID | 892 |
|---|---|
| CAS | 488-58-4 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932,MFCD00065455,MFCD00003863,MFCD00272608,MFCD00799555,MFCD00799556,MFCD01321249 |
| SMILES | OC1C(O)C(O)C(O)C(O)C1O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
L-Tagatose 98.0+%, TCI America™
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CAS: 17598-82-2 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-LFRDXLMFSA-N PubChem CID: 10965117 IUPAC Name: (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 10965117 |
|---|---|
| CAS | 17598-82-2 |
| Molecular Weight (g/mol) | 180.156 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| IUPAC Name | (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-LFRDXLMFSA-N |
| Molecular Formula | C6H12O6 |
9-Bromo-1-nonanol 95.0+%, TCI America™
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CAS: 55362-80-6 Molecular Formula: C9H19BrO Molecular Weight (g/mol): 223.15 MDL Number: MFCD00063348 InChI Key: USJDOLXCPFASNV-UHFFFAOYSA-N Synonym: 9-bromo-1-nonanol,1-nonanol, 9-bromo,9-bromo-nonan-1-ol,nonamethylene bromohydrin,9-bromnonan-1-ol,9-bromononanol,9-bromononyl alcohol,pubchem23429,9-bromo nonanol,acmc-1axfq PubChem CID: 108700 IUPAC Name: 9-bromononan-1-ol SMILES: OCCCCCCCCCBr
| PubChem CID | 108700 |
|---|---|
| CAS | 55362-80-6 |
| Molecular Weight (g/mol) | 223.15 |
| MDL Number | MFCD00063348 |
| SMILES | OCCCCCCCCCBr |
| Synonym | 9-bromo-1-nonanol,1-nonanol, 9-bromo,9-bromo-nonan-1-ol,nonamethylene bromohydrin,9-bromnonan-1-ol,9-bromononanol,9-bromononyl alcohol,pubchem23429,9-bromo nonanol,acmc-1axfq |
| IUPAC Name | 9-bromononan-1-ol |
| InChI Key | USJDOLXCPFASNV-UHFFFAOYSA-N |
| Molecular Formula | C9H19BrO |
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione 98.0+%, TCI America™
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CAS: 720-94-5 Molecular Formula: C11H9F3O2 Molecular Weight (g/mol): 230.186 MDL Number: MFCD00517909 InChI Key: WRZMHTIRFOFFPY-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-p-tolyl butane-1,3-dione,4,4,4-trifluoro-1-4-methylphenyl butane-1,3-dione,1-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,l-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,4,4,4-trifluoro-1-4-methyl phenyl-butane-1,3-dione,3-4-methylbenzoyl-1,1,1-trifluoroacetone,4,4,4-trifluoro-1-p-tolylbutane-1,3-dione,4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione,1-4-methylphenyl-4,4,4-triflurobutane-1,3-dione,1,3-butanedione, 4,4,4-trifluoro-1-4-methylphenyl PubChem CID: 550193 IUPAC Name: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione SMILES: CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 550193 |
|---|---|
| CAS | 720-94-5 |
| Molecular Weight (g/mol) | 230.186 |
| MDL Number | MFCD00517909 |
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-p-tolyl butane-1,3-dione,4,4,4-trifluoro-1-4-methylphenyl butane-1,3-dione,1-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,l-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,4,4,4-trifluoro-1-4-methyl phenyl-butane-1,3-dione,3-4-methylbenzoyl-1,1,1-trifluoroacetone,4,4,4-trifluoro-1-p-tolylbutane-1,3-dione,4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione,1-4-methylphenyl-4,4,4-triflurobutane-1,3-dione,1,3-butanedione, 4,4,4-trifluoro-1-4-methylphenyl |
| IUPAC Name | 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione |
| InChI Key | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O2 |