Organooxygen compounds
2-Chlorocyclohexanone, 95%, stabilized
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
2'-Hydroxy-4'-methoxyacetophenone, 99%
CAS: 552-41-0 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
2-Methyl-3-butyn-2-ol, 98%
CAS: 115-19-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 InChI Key: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonym: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol PubChem CID: 8258 IUPAC Name: 2-methylbut-3-yn-2-ol SMILES: CC(C)(C#C)O
Ethyl 2-chloro-4,4,4-trifluoroacetoacetate, 94%
CAS: 363-58-6 Molecular Formula: C6H6ClF3O3 Molecular Weight (g/mol): 218.56 MDL Number: MFCD00041540 InChI Key: YVWUNJVPOCYLIM-VKHMYHEASA-N Synonym: ethyl 2-chloro-4,4,4-trifluoroacetoacetate,ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate,ethyl 2-chloro-4,4,4-trifluoro-3-oxobutyrate,2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester,2-chloro-4,4,4-trifluoroacetoacetic acid ethyl ester,butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester,zlchem 1230,acmc-1cs5z,ethyl chlorotrifluoroacetoacetate,ethyl 2-chloro-3-keto-trifluorobutyrate PubChem CID: 2737165 IUPAC Name: ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F
2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone, ≥95%, Thermo Scientific™
CAS: 137577-00-5 Molecular Formula: C12H11BrN2O Molecular Weight (g/mol): 279.137 MDL Number: MFCD02681921 InChI Key: VYGXRQSIPNGJNK-UHFFFAOYSA-N Synonym: 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-1-ethanone,2-bromo-1-5-methyl-1-phenylpyrazol-4-yl ethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethan-1-one,ethanone, 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl,acmc-1c040,1-phenyl-4-2-bromoacetyl-5-methylpyrazole,4-bromoacetyl-5-methyl-1-phenyl-1h-pyrazole,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethanone,1-1-phenyl-5-methyl-1h-pyrazole-4-yl-2-bromoethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-ethanone PubChem CID: 2776439 IUPAC Name: 2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)CBr
2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 95%
CAS: 104206-65-7 Molecular Formula: C14H10F3NO5 Molecular Weight (g/mol): 329.231 MDL Number: MFCD01752192 InChI Key: OUBCNLGXQFSTLU-UHFFFAOYSA-N Synonym: nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona PubChem CID: 115355 ChEBI: CHEBI:50378 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
1H-Imidazol-2-ylmethanol hydrochloride, 97%, Thermo Scientific™
CAS: 116177-22-1 Molecular Formula: C4H7ClN2O Molecular Weight (g/mol): 134.563 MDL Number: MFCD03659700 InChI Key: FEORNCWZOSTSRO-UHFFFAOYSA-N Synonym: 1h-imidazol-2-ylmethanol hydrochloride,1h-imidazol-2-yl methanol hydrochloride,imidazolylmethanol hydrochloride,hydroxymethylimidazole hydrochloride,hydroxymethyl imidazole hydrochloride,imidazol-2-ylmethan-1-ol, chloride PubChem CID: 2776278 IUPAC Name: 1H-imidazol-2-ylmethanol;hydrochloride SMILES: C1=CN=C(N1)CO.Cl
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 90+%, Thermo Scientific™
CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.12 MDL Number: MFCD03659698 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 SMILES: BrCC(=O)C1=NC2=CC=CC=C2S1
3-Acetyl-2,5-dichlorothiophene, 98%
CAS: 36157-40-1 Molecular Formula: C6H4Cl2OS Molecular Weight (g/mol): 195.057 MDL Number: MFCD00014522 InChI Key: GYFDNIRENHZKGR-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 PubChem CID: 118920 IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)ethanone SMILES: CC(=O)C1=C(SC(=C1)Cl)Cl
Acetovanillone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
1,1-Dibromo-3,3,3-trifluoroacetone, 95%
CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br
2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone, 97%
CAS: 86404-63-9 Molecular Formula: C10H7F2N3O Molecular Weight (g/mol): 223.183 MDL Number: MFCD02093825 InChI Key: XCHRPVARHBCFMJ-UHFFFAOYSA-N Synonym: 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethanone,2,4-difluoro-alpha-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1,2,4-triazol-1-yl ethanone,2',4'-difluoro-2-1h-1,2,4-triazol-1-yl acetophenone,unii-hxi8r9r915,2-1h-1,2,4-triazol-1-yl-2',4'-difluoroacetophenone,ethanone, 1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl,2',4'-difluoro-2-1h-1,2,4-triazolyl acetophenone,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl ethan-1-one,1-2,4-difluorophenyl-2-1h-1,2,4-triazol-1-yl-ethanone PubChem CID: 588080 IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone SMILES: C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2
Ethyl potassium malonate, 98%
CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]
2-Bromo-3'-hydroxyacetophenone, 96%
CAS: 2491-37-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 MDL Number: MFCD05664326 InChI Key: IEPSGFQQGKPTPM-UHFFFAOYSA-N PubChem CID: 6917206 IUPAC Name: 2-bromo-1-(3-hydroxyphenyl)ethanone SMILES: C1=CC(=CC(=C1)O)C(=O)CBr
tert-Butyl propargyl ether, 98%
CAS: 16314-18-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD07368651 InChI Key: QIGSPXPODKLGRK-UHFFFAOYSA-N PubChem CID: 7172302 IUPAC Name: 2-methyl-2-prop-2-ynoxypropane SMILES: CC(C)(C)OCC#C