Organooxygen compounds
Methyl 2-hydroxyisobutyrate, 99%
CAS: 2110-78-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00004457 InChI Key: XYVQFUJDGOBPQI-UHFFFAOYSA-N Synonym: methyl 2-hydroxyisobutyrate,methyl 2-methyllactate,2-hydroxyisobutyric acid methyl ester,methyl 2-hydroxy-2-methylpropionate,methyl2-hydroxyisobutyrate,propanoic acid, 2-hydroxy-2-methyl-, methyl ester,methyl alpha-hydroxyisobutyrate,methyl .alpha.-hydroxyisobutyrate,methyl ester of 2-methyllactic acid,methyl 2-hydroxy-2-methyl-propanoate PubChem CID: 75024 IUPAC Name: methyl 2-hydroxy-2-methylpropanoate SMILES: CC(C)(C(=O)OC)O
Ethyl butyrylacetate, 98%
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC
(S)-(+)-2-Hydroxy-2-phenylpropionic acid, 98+%
CAS: 13113-71-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00067700 InChI Key: NWCHELUCVWSRRS-UHFFFAOYNA-N Synonym: s-atrolactic acid,2s-2-hydroxy-2-phenylpropanoic acid,s-+-2-hydroxy-2-phenylpropionic acid,atrolactic acid, +,s-2-hydroxy-2-phenylpropanoic acid,unii-22y6g519ru,s-+-atrolactic acid,atrolactic acid 2-phenyl-lactic acid,benzeneacetic acid, a-hydroxy-a-methyl-, as PubChem CID: 445144 ChEBI: CHEBI:40741 IUPAC Name: (2S)-2-hydroxy-2-phenylpropanoic acid SMILES: CC(O)(C(O)=O)C1=CC=CC=C1
3-Phenyl-2-propyn-1-ol, 97%
CAS: 1504-58-1 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00040914 InChI Key: NITUNGCLDSFVDL-UHFFFAOYSA-N Synonym: 3-phenyl-2-propyn-1-ol,2-propyn-1-ol, 3-phenyl,3-phenyl-prop-2-yn-1-ol,1-hydroxymethyl-2-phenylacetylene,1-phenyl-1-propyn-3-ol,pubchem13580,3-phenyl-2-propyn1-ol,3-phenylpropargyl alcohol,acmc-1bs1u,1-phenyl-propyn-3-ol PubChem CID: 123115 IUPAC Name: 3-phenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CCO
2',6'-Dichloroacetophenone, 97%, Thermo Scientific Chemicals
CAS: 2040-05-3 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00016339 InChI Key: HYBDSXBLGCQKRE-UHFFFAOYSA-N Synonym: 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf PubChem CID: 74877 IUPAC Name: 1-(2,6-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl
2-(Trifluoroacetyl)thiophene, 98%, Thermo Scientific™
CAS: 651-70-7 Molecular Formula: C6H3F3OS Molecular Weight (g/mol): 180.15 InChI Key: CZYKJGCKVBXLGF-UHFFFAOYSA-N Synonym: 2-trifluoroacetyl thiophene,2,2,2-trifluoro-1-thiophen-2-yl ethanone,ethanone, 2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-2-thienyl ethanone,ethanone,2,2,2-trifluoro-1-2-thienyl,2,2,2-trifluoro-1-thiophen-2-yl ethan-1-one,2,2,2-trifluoro-1-2-thienyl ethan-1-one,acmc-20aolw,trifluoroacetylthiophene,2-trifluoroacetylthiophene PubChem CID: 136464 IUPAC Name: 2,2,2-trifluoro-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)C(F)(F)F
Benzoylacetonitrile, 98+%
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
Di-tert-butyl malonate, 98%
CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
Methyl 4-(1-hydroxyethyl)benzoate, 90%, tech.
CAS: 79322-76-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00216476 InChI Key: KAXLTAULVFFCNL-UHFFFAOYSA-N PubChem CID: 586417 IUPAC Name: methyl 4-(1-hydroxyethyl)benzoate SMILES: CC(C1=CC=C(C=C1)C(=O)OC)O
Indole-6-carboxaldehyde, 97%, Thermo Scientific™
CAS: 1196-70-9 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD02179596 InChI Key: VSPBWOAEHQDXRD-UHFFFAOYSA-N Synonym: indole-6-carboxaldehyde,6-formylindole,1h-indole-6-carboxaldehyde,indole-6-carbaldehyde,6-indolecarboxaldehyde,indole-6-carboxalehyde,6-formyl-1h-indole,indole-6-carboxaldehyde 6-formylindole,6-formyl-indole,6-formyl indole PubChem CID: 2773435 IUPAC Name: 1H-indole-6-carbaldehyde SMILES: C1=CC(=CC2=C1C=CN2)C=O
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
1-Propanol, for spectroscopy ACS
CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 MDL Number: MFCD00002941 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N Synonym: 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol PubChem CID: 1031 ChEBI: CHEBI:28831 IUPAC Name: propan-1-ol SMILES: CCCO
2-Methoxypyridine-3-boronic acid, 97%
CAS: 163105-90-6 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD03411572 InChI Key: NVOLYUXUHWBCRJ-UHFFFAOYSA-N Synonym: 2-methoxypyridine-3-boronic acid,2-methoxy-3-pyridineboronic acid,2-methoxypyridin-3-yl boronic acid,2-methoxy-3-pyridylboronic acid,2-methoxypyridin-3-yl-3-boronic acid,2-methoxy-3-pyridinyl boronic acid,2-methoxy-3-pyridyl boronic acid,2-methoxy-3-pyridinyl-boronic acid,boronic acid, 2-methoxy-3-pyridinyl,boronic acid, b-2-methoxy-3-pyridinyl PubChem CID: 2762709 IUPAC Name: (2-methoxypyridin-3-yl)boronic acid SMILES: COC1=NC=CC=C1B(O)O
N-Phenacylpyridinium bromide, 97%, Thermo Scientific™
CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.15 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]