Organooxygen compounds
Ethyl trifluoroacetoacetate, 97%
CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.114 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F
3'-Bromo-5'-fluoroacetophenone, 96%
CAS: 105515-20-6 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD11847746 InChI Key: MZDXPUDHZBCYGS-UHFFFAOYSA-N Synonym: 1-3-bromo-5-fluorophenyl ethanone,3'-bromo-5'-fluoroacetophenone,1-3-bromo-5-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-5-fluorophenyl,3-bromo-5-fluoroacetophenone,pubchem22227,1-3-bromo-5-fluoro-phenyl-ethanone PubChem CID: 13730359 IUPAC Name: 1-(3-bromo-5-fluorophenyl)ethanone SMILES: CC(=O)C1=CC(F)=CC(Br)=C1
12-Crown-4, 98%
CAS: 294-93-9 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00005103 InChI Key: XQQZRZQVBFHBHL-UHFFFAOYSA-N PubChem CID: 9269 ChEBI: CHEBI:32399 IUPAC Name: 1,4,7,10-tetraoxacyclododecane SMILES: C1COCCOCCOCCO1
4-Nitrobenzo-15-crown-5, 99%, Thermo Scientific Chemicals
CAS: 60835-69-0 Molecular Formula: C14H19NO7 Molecular Weight (g/mol): 313.306 MDL Number: MFCD00060713 InChI Key: XIWRBQVYCZCEPG-UHFFFAOYSA-N Synonym: 4-nitrobenzo-15-crown-5,4'-nitrobenzo-15-crown-5,nitrobenzo-15-crown-5,15-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,17-nitro-2,5,8,11,14-pentaoxabicyclo 13.4.0 nonadeca-1 15 ,16,18-triene,17-nitro-2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecen-2,4-nitro-benzo-15-crown-5,xiwrbqvyczcepg-uhfffaoysa,4'-nitrobenzo-15-crown 5-ether PubChem CID: 143747 IUPAC Name: 17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene SMILES: C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1
2,5-Dimethyl-2,5-hexanediol, 97%
CAS: 110-03-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004473 InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 PubChem CID: 8031 IUPAC Name: 2,5-dimethylhexane-2,5-diol SMILES: CC(C)(O)CCC(C)(C)O
4'-Aminoacetophenone, 99%
CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1
4,4'-Dibromobenzil, 97%
CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N PubChem CID: 96430
Diethyl (3-chloropropyl)malonate, 98%
CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC
5-Chloro-7-methylisatin, 97%
CAS: 14389-06-1 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.602 MDL Number: MFCD00047218 InChI Key: LDFQLYHDZZPAGN-UHFFFAOYSA-N Synonym: 5-chloro-7-methylisatin,5-chloro-7-methylindoline-2,3-dione,5-chloro-7-methyl-2,3-dihydro-1h-indole-2,3-dione,5-chloro-7-methyl-1h-benzo d azolidine-2,3-dione,pubchem13601,acmc-1buvx,isatin-based compound, 56,5-chloro-7-methyl isatin,1h-indole-2,3-dione,5-chloro-7-methyl,5-chloranyl-7-methyl-1h-indole-2,3-dione PubChem CID: 366710 IUPAC Name: 5-chloro-7-methyl-1H-indole-2,3-dione SMILES: CC1=C2C(=CC(=C1)Cl)C(=O)C(=O)N2
6-Bromopyridine-2-carboxaldehyde, 97%
CAS: 34160-40-2 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD02683546 InChI Key: QWFHFNGMCPMOCD-UHFFFAOYSA-N Synonym: 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde PubChem CID: 2757009 IUPAC Name: 6-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Br)C=O
5-Chloro-2-furaldehyde, 98%, stab. with 2% ethanol
CAS: 21508-19-0 Molecular Formula: C5H3ClO2 Molecular Weight (g/mol): 130.527 MDL Number: MFCD02752599 InChI Key: DGAUAVDWXYXXGQ-UHFFFAOYSA-N Synonym: 5-chloro-2-furaldehyde,5-chlorofurfural,2-furancarboxaldehyde, 5-chloro,5-chloro-furfural,2-chlorofuran-5-aldehyde,acmc-1cq7z,5-chloro-furan-2carbaldehyde,5-chlorofuran-2 carbaldehyde,5-chloro-furan-2-carbaldehyde,5-chlorofuran-2-carboxaldehyde PubChem CID: 2769630 IUPAC Name: 5-chlorofuran-2-carbaldehyde SMILES: C1=C(OC(=C1)Cl)C=O
2-Benzyloxybenzaldehyde, 98%
CAS: 5896-17-3 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00016583 InChI Key: PBEJTRAJWCNHRS-UHFFFAOYSA-N Synonym: 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde PubChem CID: 344784 IUPAC Name: 2-phenylmethoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OCC1=CC=CC=C1
2-Bromo-4'-(1-pyrrolidinyl)acetophenone, 97%
CAS: 216144-18-2 Molecular Formula: C12H14BrNO Molecular Weight (g/mol): 268.154 MDL Number: MFCD01075690 InChI Key: WLRIUCQUMKJOGT-UHFFFAOYSA-N Synonym: 2-bromo-1-4-pyrrolidin-1-yl phenyl ethanone,alpha-bromo-4-1-pyrrolidino acetophenone,2-bromo-1-4-pyrrolidin-1-ylphenyl ethanone,2-bromo-1-4-1-pyrrolidinyl phenyl ethanone,ethanone, 2-bromo-1-4-1-pyrrolidinyl phenyl,2-bromo-1-4-pyrrolidin-1-yl phenyl ethan-1-one,2-bromo-1-4-pyrrolidin-1-ylphenyl ethan-1-one, 4-pyrrolidin-1-yl phenacyl bromide,2-bromo-1-4-pyrrolidinylphenyl ethan-1-one,acmc-209fm8 PubChem CID: 3681785 IUPAC Name: 2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone SMILES: C1CCN(C1)C2=CC=C(C=C2)C(=O)CBr
7-Methylindole-3-carboxaldehyde, 98%
CAS: 4771-50-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00047170 InChI Key: KTUFZHVVJBHGKZ-UHFFFAOYSA-N Synonym: 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 PubChem CID: 260389 IUPAC Name: 7-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C2NC=C(C=O)C2=CC=C1
2-Chloro-5-methoxybenzimidazole, 94%
CAS: 15965-54-5 Molecular Formula: C8H7ClN2O Molecular Weight (g/mol): 182.607 MDL Number: MFCD00051945 InChI Key: FMDGYQOERIOABX-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxybenzimidazole,2-chloro-5-methoxy-1h-benzo d imidazole,2-chloro-5-methoxy-1h-benzimidazole,2-chloro-5-methoxy-1h-1,3-benzodiazole,2-chloro-5-methoxy-3h-1,3-benzodiazole,acmc-1bs4u,5-methoxy-2-chlorobenzimidazole,2-chloro-5-methoxybenzoimidazole,1h-benzimidazole,2-chloro-6-methoxy,1h-benzimidazole, 2-chloro-5-methoxy PubChem CID: 519197 IUPAC Name: 2-chloro-6-methoxy-1H-benzimidazole SMILES: COC1=CC2=C(C=C1)N=C(N2)Cl