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Organooxygen compounds

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1

7-Fluoroisatin 98.0+%, TCI America™

CAS: 317-20-4 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 InChI Key: HGBGVEOXPHGSOS-UHFFFAOYSA-N Synonym: 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion PubChem CID: 586418 IUPAC Name: 7-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)F)NC(=O)C2=O

PubChem CID 586418
CAS 317-20-4
Molecular Weight (g/mol) 165.123
SMILES C1=CC2=C(C(=C1)F)NC(=O)C2=O
Synonym 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion
IUPAC Name 7-fluoro-1H-indole-2,3-dione
InChI Key HGBGVEOXPHGSOS-UHFFFAOYSA-N
Molecular Formula C8H4FNO2
2
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7-Bromoisatin, 97%

CAS: 20780-74-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00774354 InChI Key: OCVKSIWBTJCXPV-UHFFFAOYSA-N Synonym: 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin PubChem CID: 2302353 IUPAC Name: 7-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O

PubChem CID 2302353
CAS 20780-74-9
Molecular Weight (g/mol) 226.029
MDL Number MFCD00774354
SMILES C1=CC2=C(C(=C1)Br)NC(=O)C2=O
Synonym 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin
IUPAC Name 7-bromo-1H-indole-2,3-dione
InChI Key OCVKSIWBTJCXPV-UHFFFAOYSA-N
Molecular Formula C8H4BrNO2
3
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7-Fluoroisatin, 97%

CAS: 317-20-4 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD01569508 InChI Key: HGBGVEOXPHGSOS-UHFFFAOYSA-N Synonym: 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion PubChem CID: 586418 IUPAC Name: 7-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)F)NC(=O)C2=O

PubChem CID 586418
CAS 317-20-4
Molecular Weight (g/mol) 165.123
MDL Number MFCD01569508
SMILES C1=CC2=C(C(=C1)F)NC(=O)C2=O
Synonym 7-fluoroisatin,7-fluoroindoline-2,3-dione,7-fluoro-2,3-indolinedione,1h-indole-2,3-dione, 7-fluoro,7-fluoroindole-1h-2,3-dione,7-fluoroindole-2,3-dione,7-fluoro-2,3-dihydro-1h-indole-2,3-dione,7-fluoroisatine,7-fluoro-1h-benzo d azoline-2,3-dione,7-fluor-1h-indol-2,3-dion
IUPAC Name 7-fluoro-1H-indole-2,3-dione
InChI Key HGBGVEOXPHGSOS-UHFFFAOYSA-N
Molecular Formula C8H4FNO2
4

Dipropyl Malonate 98.0+%, TCI America™

CAS: 1117-19-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00059406 InChI Key: LWIWFCDNJNZEKB-UHFFFAOYSA-N Synonym: Malonic Acid Dipropyl Ester PubChem CID: 517959 IUPAC Name: dipropyl propanedioate SMILES: CCCOC(=O)CC(=O)OCCC

PubChem CID 517959
CAS 1117-19-7
Molecular Weight (g/mol) 188.223
MDL Number MFCD00059406
SMILES CCCOC(=O)CC(=O)OCCC
Synonym Malonic Acid Dipropyl Ester
IUPAC Name dipropyl propanedioate
InChI Key LWIWFCDNJNZEKB-UHFFFAOYSA-N
Molecular Formula C9H16O4
5
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2,4,6-Trihydroxybenzaldehyde, 95%

CAS: 487-70-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003329 InChI Key: BTQAJGSMXCDDAJ-UHFFFAOYSA-N Synonym: phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01 PubChem CID: 68099 IUPAC Name: 2,4,6-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C(O)=C1

PubChem CID 68099
CAS 487-70-7
Molecular Weight (g/mol) 154.12
MDL Number MFCD00003329
SMILES OC1=CC(O)=C(C=O)C(O)=C1
Synonym phloroglucinaldehyde,benzaldehyde, 2,4,6-trihydroxy,formylphloroglucinal,phloroglucinolcarboxaldehyde,formylphloroglucinol,phloroglucinol aldehyde,2,4,6-trihydroxy-benzaldehyde,2,4,6-trihydroxybenzaldehyd,pubchem21790,acmc-1ao01
IUPAC Name 2,4,6-trihydroxybenzaldehyde
InChI Key BTQAJGSMXCDDAJ-UHFFFAOYSA-N
Molecular Formula C7H6O4
6

Bis(2-bromoethyl) Ether 98.0+%, TCI America™

CAS: 5414-19-7 Molecular Formula: C4H8Br2O Molecular Weight (g/mol): 231.915 MDL Number: MFCD00039196 InChI Key: FOZVXADQAHVUSV-UHFFFAOYSA-N Synonym: bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether PubChem CID: 21521 IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane SMILES: C(CBr)OCCBr

PubChem CID 21521
CAS 5414-19-7
Molecular Weight (g/mol) 231.915
MDL Number MFCD00039196
SMILES C(CBr)OCCBr
Synonym bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether
IUPAC Name 1-bromo-2-(2-bromoethoxy)ethane
InChI Key FOZVXADQAHVUSV-UHFFFAOYSA-N
Molecular Formula C4H8Br2O
7
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1,4-Dihydroxyanthraquinone, 95%

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

PubChem CID 6688
CAS 81-64-1
Molecular Weight (g/mol) 240.214
ChEBI CHEBI:37487
MDL Number MFCD00001209
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name 1,4-dihydroxyanthracene-9,10-dione
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
8

(S)-Trichostatic Acid 98.0+%, TCI America™

CAS: 68690-19-7 Molecular Formula: C17H21NO3 Molecular Weight (g/mol): 287.359 InChI Key: VKEITMNFEJHFCX-LEJRBOCMSA-N Synonym: (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid PubChem CID: 14100757 ChEBI: CHEBI:39159 IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid SMILES: CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 14100757
CAS 68690-19-7
Molecular Weight (g/mol) 287.359
ChEBI CHEBI:39159
SMILES CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C
Synonym (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid
IUPAC Name (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
InChI Key VKEITMNFEJHFCX-LEJRBOCMSA-N
Molecular Formula C17H21NO3
9

Trichostatin A 98.0+%, TCI America™

CAS: 58880-19-6 Molecular Formula: C17H22N2O3 Molecular Weight (g/mol): 302.37 MDL Number: MFCD03848392 InChI Key: RTKIYFITIVXBLE-WKWSCTOINA-N Synonym: trichostatin a,trichostatin a tsa,trichostatin,tsa,unii-3x2s926l3z,2e,4e,6r-7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide,gnf-pf-1011,2,4-heptadienamide, 7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo,7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide,r-e,e-7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide PubChem CID: 444732 ChEBI: CHEBI:46024 IUPAC Name: (2E,4E)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide SMILES: CC(\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 444732
CAS 58880-19-6
Molecular Weight (g/mol) 302.37
ChEBI CHEBI:46024
MDL Number MFCD03848392
SMILES CC(\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
Synonym trichostatin a,trichostatin a tsa,trichostatin,tsa,unii-3x2s926l3z,2e,4e,6r-7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide,gnf-pf-1011,2,4-heptadienamide, 7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo,7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide,r-e,e-7-4-dimethylamino phenyl-n-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide
IUPAC Name (2E,4E)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
InChI Key RTKIYFITIVXBLE-WKWSCTOINA-N
Molecular Formula C17H22N2O3
10

3-(Bromoacetyl)pyridine Hydrobromide 98.0+%, TCI America™

CAS: 17694-68-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.95 MDL Number: MFCD00052182 InChI Key: WDTSYONULAZKIE-UHFFFAOYSA-N Synonym: 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide PubChem CID: 2776234 IUPAC Name: hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide SMILES: [H+].[Br-].BrCC(=O)C1=CC=CN=C1

PubChem CID 2776234
CAS 17694-68-7
Molecular Weight (g/mol) 280.95
MDL Number MFCD00052182
SMILES [H+].[Br-].BrCC(=O)C1=CC=CN=C1
Synonym 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide
IUPAC Name hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide
InChI Key WDTSYONULAZKIE-UHFFFAOYSA-N
Molecular Formula C7H7Br2NO
11
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tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

PubChem CID 545853
CAS 40052-13-9
Molecular Weight (g/mol) 160.169
MDL Number MFCD00191886
SMILES CC(C)(C)OC(=O)CC(=O)O
Synonym 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester
IUPAC Name 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI Key NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Formula C7H12O4
12

Triethylene Glycol Monoethyl Ether 90.0+%, TCI America™

CAS: 112-50-5 Molecular Formula: C8H18O4 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00020605 InChI Key: WFSMVVDJSNMRAR-UHFFFAOYSA-N PubChem CID: 8190 IUPAC Name: 2-[2-(2-ethoxyethoxy)ethoxy]ethan-1-ol SMILES: CCOCCOCCOCCO

PubChem CID 8190
CAS 112-50-5
Molecular Weight (g/mol) 178.23
MDL Number MFCD00020605
SMILES CCOCCOCCOCCO
IUPAC Name 2-[2-(2-ethoxyethoxy)ethoxy]ethan-1-ol
InChI Key WFSMVVDJSNMRAR-UHFFFAOYSA-N
Molecular Formula C8H18O4
13

24-Crown 8-Ether 95.0+%, TCI America™

CAS: 33089-37-1 Molecular Formula: C16H32O8 Molecular Weight (g/mol): 352.424 MDL Number: MFCD00054528 InChI Key: BGYBONWLWSMGNV-UHFFFAOYSA-N Synonym: 1,4,7,10,13,16,19,22-Octaoxacyclotetracosane PubChem CID: 10893545 IUPAC Name: 1,4,7,10,13,16,19,22-octaoxacyclotetracosane SMILES: C1COCCOCCOCCOCCOCCOCCOCCO1

PubChem CID 10893545
CAS 33089-37-1
Molecular Weight (g/mol) 352.424
MDL Number MFCD00054528
SMILES C1COCCOCCOCCOCCOCCOCCOCCO1
Synonym 1,4,7,10,13,16,19,22-Octaoxacyclotetracosane
IUPAC Name 1,4,7,10,13,16,19,22-octaoxacyclotetracosane
InChI Key BGYBONWLWSMGNV-UHFFFAOYSA-N
Molecular Formula C16H32O8
14
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Acetophenone, 99%

CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

PubChem CID 7410
CAS 98-86-2
Molecular Weight (g/mol) 120.151
ChEBI CHEBI:27632
MDL Number MFCD00008724
SMILES CC(=O)C1=CC=CC=C1
Synonym acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name 1-phenylethanone
InChI Key KWOLFJPFCHCOCG-UHFFFAOYSA-N
Molecular Formula C8H8O
15
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8-Bromo-1-octanol, 95%

CAS: 50816-19-8 Molecular Formula: C8H17BrO Molecular Weight (g/mol): 209.127 MDL Number: MFCD00010388 InChI Key: GMXIEASXPUEOTG-UHFFFAOYSA-N Synonym: 8-bromo-1-octanol,1-octanol, 8-bromo,8-bromooctanol,octamethylene bromohydrin,8-bromo octanol,1-bromooctan-8-ol,8-bromo-1-actanol,8-bromooctane-1-ol,1-bromo-octan-8-ol,8-bromo-octan-1-ol PubChem CID: 162607 IUPAC Name: 8-bromooctan-1-ol SMILES: C(CCCCBr)CCCO

PubChem CID 162607
CAS 50816-19-8
Molecular Weight (g/mol) 209.127
MDL Number MFCD00010388
SMILES C(CCCCBr)CCCO
Synonym 8-bromo-1-octanol,1-octanol, 8-bromo,8-bromooctanol,octamethylene bromohydrin,8-bromo octanol,1-bromooctan-8-ol,8-bromo-1-actanol,8-bromooctane-1-ol,1-bromo-octan-8-ol,8-bromo-octan-1-ol
IUPAC Name 8-bromooctan-1-ol
InChI Key GMXIEASXPUEOTG-UHFFFAOYSA-N
Molecular Formula C8H17BrO