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Organooxygen compounds

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1

1-(2-Chloropyridin-4-yl)ethanone, 97%, Thermo Scientific™

CAS: 23794-15-2 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.581 MDL Number: MFCD07699406 InChI Key: ZJCGPQZERFBGSM-UHFFFAOYSA-N Synonym: 1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone PubChem CID: 13145255 IUPAC Name: 1-(2-chloropyridin-4-yl)ethanone SMILES: CC(=O)C1=CC(=NC=C1)Cl

PubChem CID 13145255
CAS 23794-15-2
Molecular Weight (g/mol) 155.581
MDL Number MFCD07699406
SMILES CC(=O)C1=CC(=NC=C1)Cl
Synonym 1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone
IUPAC Name 1-(2-chloropyridin-4-yl)ethanone
InChI Key ZJCGPQZERFBGSM-UHFFFAOYSA-N
Molecular Formula C7H6ClNO
2

4-[(6-Methylpyrazin-2-yl)oxy]benzaldehyde, 97%, Thermo Scientific™

CAS: 906353-01-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD09817531 InChI Key: VUPYANPNFUPQQU-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzaldehyde,4-6-methylpyrazin-2-yloxy benzaldehyde PubChem CID: 24229689 IUPAC Name: 4-(6-methylpyrazin-2-yl)oxybenzaldehyde SMILES: CC1=CN=CC(OC2=CC=C(C=O)C=C2)=N1

PubChem CID 24229689
CAS 906353-01-3
Molecular Weight (g/mol) 214.22
MDL Number MFCD09817531
SMILES CC1=CN=CC(OC2=CC=C(C=O)C=C2)=N1
Synonym 4-6-methylpyrazin-2-yl oxy benzaldehyde,4-6-methylpyrazin-2-yloxy benzaldehyde
IUPAC Name 4-(6-methylpyrazin-2-yl)oxybenzaldehyde
InChI Key VUPYANPNFUPQQU-UHFFFAOYSA-N
Molecular Formula C12H10N2O2
3

2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide, Thermo Scientific™

CAS: 17570-98-8 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.947 InChI Key: BYKVUGZUYJUSKD-UHFFFAOYSA-N Synonym: 2-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-2-yl ethanone hydrobromide,2-bromo-1-2-pyridinyl-1-ethanone hydrobromide,2-2-bromoacetyl pyridine hydrobromide,2-bromoacetylpyridine hydrobromide,2-bromo-1-pyridin-2-ylethanone hydrobromide,2-bromo-1-2-pyridinyl ethanone hydrobromide,2-bromo-1-pyridin-2-yl ethan-1-one hydrobromide,zlchem 1071,pubchem21374 PubChem CID: 2776231 IUPAC Name: 2-bromo-1-pyridin-2-ylethanone;hydrobromide SMILES: C1=CC=NC(=C1)C(=O)CBr.Br

PubChem CID 2776231
CAS 17570-98-8
Molecular Weight (g/mol) 280.947
SMILES C1=CC=NC(=C1)C(=O)CBr.Br
Synonym 2-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-2-yl ethanone hydrobromide,2-bromo-1-2-pyridinyl-1-ethanone hydrobromide,2-2-bromoacetyl pyridine hydrobromide,2-bromoacetylpyridine hydrobromide,2-bromo-1-pyridin-2-ylethanone hydrobromide,2-bromo-1-2-pyridinyl ethanone hydrobromide,2-bromo-1-pyridin-2-yl ethan-1-one hydrobromide,zlchem 1071,pubchem21374
IUPAC Name 2-bromo-1-pyridin-2-ylethanone;hydrobromide
InChI Key BYKVUGZUYJUSKD-UHFFFAOYSA-N
Molecular Formula C7H7Br2NO
4

2-Pyrrolidin-1-ylisonicotinaldehyde, 97%, Thermo Scientific™

CAS: 898289-23-1 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD08690286 InChI Key: QPKFMHRNVDJMLZ-UHFFFAOYSA-N Synonym: 2-pyrrolidin-1-ylisonicotinaldehyde,2-pyrrolidin-1-yl isonicotinaldehyde,2-pyrrolidin-1-yl pyridine-4-carbaldehyde,2-pyrrolidin-1-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-1-pyrrolidinyl,2-pyrrolidinylpyridine-4-carbaldehyde,2-pyrrolidin-1-yl-isonicotinaldehyde,4-pyridinecarboxaldehyde, 2-1-pyrrolidinyl PubChem CID: 18525845 IUPAC Name: 2-pyrrolidin-1-ylpyridine-4-carbaldehyde SMILES: C1CCN(C1)C2=NC=CC(=C2)C=O

PubChem CID 18525845
CAS 898289-23-1
Molecular Weight (g/mol) 176.219
MDL Number MFCD08690286
SMILES C1CCN(C1)C2=NC=CC(=C2)C=O
Synonym 2-pyrrolidin-1-ylisonicotinaldehyde,2-pyrrolidin-1-yl isonicotinaldehyde,2-pyrrolidin-1-yl pyridine-4-carbaldehyde,2-pyrrolidin-1-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-1-pyrrolidinyl,2-pyrrolidinylpyridine-4-carbaldehyde,2-pyrrolidin-1-yl-isonicotinaldehyde,4-pyridinecarboxaldehyde, 2-1-pyrrolidinyl
IUPAC Name 2-pyrrolidin-1-ylpyridine-4-carbaldehyde
InChI Key QPKFMHRNVDJMLZ-UHFFFAOYSA-N
Molecular Formula C10H12N2O
5

3-Amino-2-methylacrylaldehyde, 97%, Thermo Scientific™

CAS: 30989-81-2 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD01566866 InChI Key: OEZAAXHZEMTBOV-DUXPYHPUSA-N Synonym: 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e PubChem CID: 637539 IUPAC Name: (E)-3-amino-2-methylprop-2-enal SMILES: CC(=CN)C=O

PubChem CID 637539
CAS 30989-81-2
Molecular Weight (g/mol) 85.106
MDL Number MFCD01566866
SMILES CC(=CN)C=O
Synonym 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e
IUPAC Name (E)-3-amino-2-methylprop-2-enal
InChI Key OEZAAXHZEMTBOV-DUXPYHPUSA-N
Molecular Formula C4H7NO
6

2-[2-(Dimethylamino)ethoxy]benzaldehyde, ≥97%, Thermo Scientific™

CAS: 15182-06-6 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD08146610 InChI Key: TWMYSXRSVLFCGX-UHFFFAOYSA-N PubChem CID: 6504241 IUPAC Name: 2-[2-(dimethylamino)ethoxy]benzaldehyde SMILES: CN(C)CCOC1=CC=CC=C1C=O

PubChem CID 6504241
CAS 15182-06-6
Molecular Weight (g/mol) 193.246
MDL Number MFCD08146610
SMILES CN(C)CCOC1=CC=CC=C1C=O
IUPAC Name 2-[2-(dimethylamino)ethoxy]benzaldehyde
InChI Key TWMYSXRSVLFCGX-UHFFFAOYSA-N
Molecular Formula C11H15NO2
7

8-Quinolinecarbaldehyde, Thermo Scientific™

CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2

PubChem CID 170103
CAS 38707-70-9
Molecular Weight (g/mol) 157.172
MDL Number MFCD00805837
SMILES C1=CC2=C(C(=C1)C=O)N=CC=C2
Synonym 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j
IUPAC Name quinoline-8-carbaldehyde
InChI Key OVZQVGZERAFSPI-UHFFFAOYSA-N
Molecular Formula C10H7NO
8

(2-Butyl-1H-imidazol-4-yl)methanol, 97%, Thermo Scientific™

CAS: 68283-19-2 Molecular Formula: C8H14N2O Molecular Weight (g/mol): 154.21 MDL Number: MFCD00239516 InChI Key: UZKBZGAMRJRWLR-UHFFFAOYSA-N Synonym: 2-butyl-1h-imidazol-4-yl methanol,2-butyl-5-hydroxymethylimidazole,2-butyl-1h-imidazol-5-yl methanol,unii-k14mm5ob9a,2-butyl-4-hydroxymethyl imidazole,k14mm5ob9a,2-butylimidazol-5-yl methan-1-ol,2-butyl-3h-imidazol-4-yl methanol,2-n-butyl-4-imidazolemethanol,2-n-butyl-4-hydroxymethylimidazole PubChem CID: 2735673 IUPAC Name: (2-butyl-1H-imidazol-5-yl)methanol SMILES: CCCCC1=NC=C(CO)N1

PubChem CID 2735673
CAS 68283-19-2
Molecular Weight (g/mol) 154.21
MDL Number MFCD00239516
SMILES CCCCC1=NC=C(CO)N1
Synonym 2-butyl-1h-imidazol-4-yl methanol,2-butyl-5-hydroxymethylimidazole,2-butyl-1h-imidazol-5-yl methanol,unii-k14mm5ob9a,2-butyl-4-hydroxymethyl imidazole,k14mm5ob9a,2-butylimidazol-5-yl methan-1-ol,2-butyl-3h-imidazol-4-yl methanol,2-n-butyl-4-imidazolemethanol,2-n-butyl-4-hydroxymethylimidazole
IUPAC Name (2-butyl-1H-imidazol-5-yl)methanol
InChI Key UZKBZGAMRJRWLR-UHFFFAOYSA-N
Molecular Formula C8H14N2O
9

(4-Methyl-2-phenyl-5-pyrimidinyl)methanol, 95%, Thermo Scientific™

CAS: 342405-27-0 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD02682074 InChI Key: LXJHDOHHZSZIMJ-UHFFFAOYSA-N Synonym: 4-methyl-2-phenylpyrimidin-5-yl methanol,4-methyl-2-phenyl-5-pyrimidinyl methanol,5-pyrimidinemethanol,4-methyl-2-phenyl,4-methyl-2-phenylpyrimidin-5-yl methan-1-ol PubChem CID: 2776512 IUPAC Name: (4-methyl-2-phenylpyrimidin-5-yl)methanol SMILES: CC1=NC(=NC=C1CO)C2=CC=CC=C2

PubChem CID 2776512
CAS 342405-27-0
Molecular Weight (g/mol) 200.241
MDL Number MFCD02682074
SMILES CC1=NC(=NC=C1CO)C2=CC=CC=C2
Synonym 4-methyl-2-phenylpyrimidin-5-yl methanol,4-methyl-2-phenyl-5-pyrimidinyl methanol,5-pyrimidinemethanol,4-methyl-2-phenyl,4-methyl-2-phenylpyrimidin-5-yl methan-1-ol
IUPAC Name (4-methyl-2-phenylpyrimidin-5-yl)methanol
InChI Key LXJHDOHHZSZIMJ-UHFFFAOYSA-N
Molecular Formula C12H12N2O
10

2-Bromo-1-(2-thienyl)-1-ethanone, Technical Grade, Thermo Scientific™

CAS: 10531-41-6 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 InChI Key: UHWNENCHFSDZQP-UHFFFAOYSA-N Synonym: 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one PubChem CID: 2776372 IUPAC Name: 2-bromo-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)CBr

PubChem CID 2776372
CAS 10531-41-6
Molecular Weight (g/mol) 205.069
SMILES C1=CSC(=C1)C(=O)CBr
Synonym 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one
IUPAC Name 2-bromo-1-thiophen-2-ylethanone
InChI Key UHWNENCHFSDZQP-UHFFFAOYSA-N
Molecular Formula C6H5BrOS
11

1,3-Thiazol-2-ylmethanol, 97+%, Thermo Scientific™

CAS: 14542-12-2 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 MDL Number: MFCD06200855 InChI Key: JNHDLNXNYPLBMJ-UHFFFAOYSA-N Synonym: thiazol-2-ylmethanol,2-thiazolemethanol,thiazol-2-yl-methanol,2-hydroxymethylthiazole,2-hydroxymethyl thiazole,2-hydroxymehtylthiazole,1,3-thiazol-2-yl methanol,thiazol-2-yl methanol,thiazole-2-methanol,2-thiazolylmethanol PubChem CID: 2795213 SMILES: OCC1=NC=CS1

PubChem CID 2795213
CAS 14542-12-2
Molecular Weight (g/mol) 115.15
MDL Number MFCD06200855
SMILES OCC1=NC=CS1
Synonym thiazol-2-ylmethanol,2-thiazolemethanol,thiazol-2-yl-methanol,2-hydroxymethylthiazole,2-hydroxymethyl thiazole,2-hydroxymehtylthiazole,1,3-thiazol-2-yl methanol,thiazol-2-yl methanol,thiazole-2-methanol,2-thiazolylmethanol
InChI Key JNHDLNXNYPLBMJ-UHFFFAOYSA-N
Molecular Formula C4H5NOS
12

4-(Dimethoxymethyl)-2-methylpyrimidine, 97%, Thermo Scientific™

CAS: 175277-33-5 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00085137 InChI Key: VDXHJWMLYFVGDL-UHFFFAOYSA-N PubChem CID: 2799572 IUPAC Name: 4-(dimethoxymethyl)-2-methylpyrimidine SMILES: COC(OC)C1=CC=NC(C)=N1

PubChem CID 2799572
CAS 175277-33-5
Molecular Weight (g/mol) 168.20
MDL Number MFCD00085137
SMILES COC(OC)C1=CC=NC(C)=N1
IUPAC Name 4-(dimethoxymethyl)-2-methylpyrimidine
InChI Key VDXHJWMLYFVGDL-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
13

(2-Phenylpyrimidin-5-yl)methanol, 97%, Thermo Scientific™

CAS: 886531-62-0 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD09817550 InChI Key: DJEBODXMCJKLPH-UHFFFAOYSA-N Synonym: 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol PubChem CID: 21298145 IUPAC Name: (2-phenylpyrimidin-5-yl)methanol SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)CO

PubChem CID 21298145
CAS 886531-62-0
Molecular Weight (g/mol) 186.214
MDL Number MFCD09817550
SMILES C1=CC=C(C=C1)C2=NC=C(C=N2)CO
Synonym 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol
IUPAC Name (2-phenylpyrimidin-5-yl)methanol
InChI Key DJEBODXMCJKLPH-UHFFFAOYSA-N
Molecular Formula C11H10N2O
14

2-Allyl-3-hydroxybenzaldehyde, 97%, Thermo Scientific™

CAS: 79950-42-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00100646 InChI Key: QVHRAGBOMUXWRI-UHFFFAOYSA-N Synonym: 2-allyl-3-hydroxybenzaldehyde,3-hydroxy-2-prop-2-en-1-yl benzaldehyde,2-allyl-3hydroxybenzaldehyde,2-allyl-3-hydroxy-benzaldehyde,3-hydroxy-2-allyl benzaldehyde,3-oxidanyl-2-prop-2-enyl-benzaldehyde,3-hydroxy-2-prop-2-en-1-ylbenzaldehyde,benzaldehyde, 3-hydroxy-2-2-propenyl,benzaldehyde,3-hydroxy-2-2-propen-1-yl,2-allyl-3-hydroxybenzaldehyde, containing 200ppm mehq PubChem CID: 2775156 IUPAC Name: 3-hydroxy-2-prop-2-enylbenzaldehyde SMILES: OC1=CC=CC(C=O)=C1CC=C

PubChem CID 2775156
CAS 79950-42-8
Molecular Weight (g/mol) 162.19
MDL Number MFCD00100646
SMILES OC1=CC=CC(C=O)=C1CC=C
Synonym 2-allyl-3-hydroxybenzaldehyde,3-hydroxy-2-prop-2-en-1-yl benzaldehyde,2-allyl-3hydroxybenzaldehyde,2-allyl-3-hydroxy-benzaldehyde,3-hydroxy-2-allyl benzaldehyde,3-oxidanyl-2-prop-2-enyl-benzaldehyde,3-hydroxy-2-prop-2-en-1-ylbenzaldehyde,benzaldehyde, 3-hydroxy-2-2-propenyl,benzaldehyde,3-hydroxy-2-2-propen-1-yl,2-allyl-3-hydroxybenzaldehyde, containing 200ppm mehq
IUPAC Name 3-hydroxy-2-prop-2-enylbenzaldehyde
InChI Key QVHRAGBOMUXWRI-UHFFFAOYSA-N
Molecular Formula C10H10O2
15

Chroman-6-carbaldehyde, 95%, Thermo Scientific™

CAS: 55745-97-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD08146589 InChI Key: YIHDTNNFJDJYRG-UHFFFAOYSA-N Synonym: chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro PubChem CID: 6504215 IUPAC Name: 3,4-dihydro-2H-chromene-6-carbaldehyde SMILES: C1CC2=C(C=CC(=C2)C=O)OC1

PubChem CID 6504215
CAS 55745-97-6
Molecular Weight (g/mol) 162.188
MDL Number MFCD08146589
SMILES C1CC2=C(C=CC(=C2)C=O)OC1
Synonym chroman-6-carbaldehyde,chromane-6-carbaldehyde,3,4-dihydro-2h-1-benzopyran-6-carbaldehyde,chroman-6-carboxaldehyde,3,4-dihydro-2h-chromene-6-carboxaldehyde,2h-1-benzopyran-6-carboxaldehyde, 3,4-dihydro
IUPAC Name 3,4-dihydro-2H-chromene-6-carbaldehyde
InChI Key YIHDTNNFJDJYRG-UHFFFAOYSA-N
Molecular Formula C10H10O2