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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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1

4'-Iodoacetophenone, 98%

CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.047 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

PubChem CID 72869
CAS 13329-40-3
Molecular Weight (g/mol) 246.047
MDL Number MFCD00045320
SMILES CC(=O)C1=CC=C(C=C1)I
Synonym 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone
IUPAC Name 1-(4-iodophenyl)ethanone
InChI Key JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular Formula C8H7IO
2

1,1,1-Trifluoroacetone, 95%

CAS: 421-50-1 Molecular Formula: C3H3F3O Molecular Weight (g/mol): 112.051 MDL Number: MFCD00000423 InChI Key: FHUDAMLDXFJHJE-UHFFFAOYSA-N Synonym: 1,1,1-trifluoroacetone,trifluoroacetone,1,1,1-trifluoro-2-propanone,methyl trifluoromethyl ketone,2-propanone, 1,1,1-trifluoro,trifluoromethyl methyl ketone,3,3,3-trifluoroacetone,1,1,1,-trifluoroacetone,trifluoroketone,trifluoracetone PubChem CID: 9871 IUPAC Name: 1,1,1-trifluoropropan-2-one SMILES: CC(=O)C(F)(F)F

PubChem CID 9871
CAS 421-50-1
Molecular Weight (g/mol) 112.051
MDL Number MFCD00000423
SMILES CC(=O)C(F)(F)F
Synonym 1,1,1-trifluoroacetone,trifluoroacetone,1,1,1-trifluoro-2-propanone,methyl trifluoromethyl ketone,2-propanone, 1,1,1-trifluoro,trifluoromethyl methyl ketone,3,3,3-trifluoroacetone,1,1,1,-trifluoroacetone,trifluoroketone,trifluoracetone
IUPAC Name 1,1,1-trifluoropropan-2-one
InChI Key FHUDAMLDXFJHJE-UHFFFAOYSA-N
Molecular Formula C3H3F3O
3

2-Chloro-4'-fluoroacetophenone, 99%

CAS: 456-04-2 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00011652 InChI Key: UJZWJOQRSMOFMA-UHFFFAOYSA-N Synonym: 2-chloro-4'-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethanone,p-fluorophenacyl chloride,4-fluorophenacyl chloride,alpha-chloro-4-fluoroacetophenone,4-chloroacetyl-1-fluorobenzene,alpha-chloro-p-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethan-1-one,ethanone, 2-chloro-1-4-fluorophenyl,2'-chloro-4-fluoroacetophenone PubChem CID: 120248 IUPAC Name: 2-chloro-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CCl)F

PubChem CID 120248
CAS 456-04-2
Molecular Weight (g/mol) 172.583
MDL Number MFCD00011652
SMILES C1=CC(=CC=C1C(=O)CCl)F
Synonym 2-chloro-4'-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethanone,p-fluorophenacyl chloride,4-fluorophenacyl chloride,alpha-chloro-4-fluoroacetophenone,4-chloroacetyl-1-fluorobenzene,alpha-chloro-p-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethan-1-one,ethanone, 2-chloro-1-4-fluorophenyl,2'-chloro-4-fluoroacetophenone
IUPAC Name 2-chloro-1-(4-fluorophenyl)ethanone
InChI Key UJZWJOQRSMOFMA-UHFFFAOYSA-N
Molecular Formula C8H6ClFO
4

4'-Iodoacetophenone, 98%

CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.05 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

PubChem CID 72869
CAS 13329-40-3
Molecular Weight (g/mol) 246.05
MDL Number MFCD00045320
SMILES CC(=O)C1=CC=C(C=C1)I
Synonym 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone
IUPAC Name 1-(4-iodophenyl)ethanone
InChI Key JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular Formula C8H7IO
5

2,2-Diethoxyacetophenone, 96%

CAS: 6175-45-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00009659 InChI Key: PIZHFBODNLEQBL-UHFFFAOYSA-N Synonym: 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal PubChem CID: 22555 IUPAC Name: 2,2-diethoxy-1-phenylethanone SMILES: CCOC(OCC)C(=O)C1=CC=CC=C1

PubChem CID 22555
CAS 6175-45-7
Molecular Weight (g/mol) 208.26
MDL Number MFCD00009659
SMILES CCOC(OCC)C(=O)C1=CC=CC=C1
Synonym 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal
IUPAC Name 2,2-diethoxy-1-phenylethanone
InChI Key PIZHFBODNLEQBL-UHFFFAOYSA-N
Molecular Formula C12H16O3
6

Chloroacetone, 95%, stab. with 0.1% epoxidized soybean oil

CAS: 78-95-5 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00000936 InChI Key: BULLHNJGPPOUOX-UHFFFAOYSA-N SMILES: CC(=O)CCl

CAS 78-95-5
Molecular Weight (g/mol) 92.52
MDL Number MFCD00000936
SMILES CC(=O)CCl
InChI Key BULLHNJGPPOUOX-UHFFFAOYSA-N
Molecular Formula C3H5ClO
7

2'-Chloroacetophenone, 97%

CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.6 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl

PubChem CID 72864
CAS 2142-68-9
Molecular Weight (g/mol) 154.6
MDL Number MFCD00000560
SMILES CC(=O)C1=CC=CC=C1Cl
Synonym 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene
IUPAC Name 1-(2-chlorophenyl)ethanone
InChI Key ZDOYHCIRUPHUHN-UHFFFAOYSA-N
Molecular Formula C8H7ClO
8

Desethyl Amiodarone Hydrochloride, TRC

CAS: 96027-74-6 Molecular Formula: C23 H25 I2 N O3 . Cl H Molecular Weight (g/mol): 653.72 Synonym: (2-Butylbenzofuran-3-yl)[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone Hydrochloride,Amiodarone Hydrochloride Imp. B (EP) as Hydrochloride,Desethylamiodarone Hydrochloride IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: Cl.CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCNCC)c(I)c3

CAS 96027-74-6
Molecular Weight (g/mol) 653.72
SMILES Cl.CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCNCC)c(I)c3
Synonym (2-Butylbenzofuran-3-yl)[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone Hydrochloride,Amiodarone Hydrochloride Imp. B (EP) as Hydrochloride,Desethylamiodarone Hydrochloride
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride
Molecular Formula C23 H25 I2 N O3 . Cl H
9

De(diethylaminoethyl-5-iodo) Amiodarone, TRC

CAS: 147030-50-0 Molecular Formula: C19 H17 I O3 Molecular Weight (g/mol): 420.24 Synonym: Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)-,(2-Butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)methanone,L 6424,(2-Butylbenzofuran-3-yl)(4-hydroxy-3-iodophenyl)methanone,De(diethylaminoethyl-5-iodo) Amiodarone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3-iodophenyl)methanone SMILES: CCCCc1oc2ccccc2c1C(=O)c3ccc(O)c(I)c3

CAS 147030-50-0
Molecular Weight (g/mol) 420.24
SMILES CCCCc1oc2ccccc2c1C(=O)c3ccc(O)c(I)c3
Synonym Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)-,(2-Butyl-3-benzofuranyl)(4-hydroxy-3-iodophenyl)methanone,L 6424,(2-Butylbenzofuran-3-yl)(4-hydroxy-3-iodophenyl)methanone,De(diethylaminoethyl-5-iodo) Amiodarone
IUPAC Name (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3-iodophenyl)methanone
Molecular Formula C19 H17 I O3
10

2-Chlorocyclopentanone, 97%, stabilized

CAS: 694-28-0 Molecular Formula: C5H7ClO Molecular Weight (g/mol): 118.56 MDL Number: MFCD00001410 InChI Key: AXDZFGRFZOQVBV-UHFFFAOYNA-N Synonym: 2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b PubChem CID: 12751 IUPAC Name: 2-chlorocyclopentan-1-one SMILES: ClC1CCCC1=O

PubChem CID 12751
CAS 694-28-0
Molecular Weight (g/mol) 118.56
MDL Number MFCD00001410
SMILES ClC1CCCC1=O
Synonym 2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b
IUPAC Name 2-chlorocyclopentan-1-one
InChI Key AXDZFGRFZOQVBV-UHFFFAOYNA-N
Molecular Formula C5H7ClO
11

Amiodarone, TRC

CAS: 1951-25-3 Molecular Formula: C25H29I2NO3 Molecular Weight (g/mol): 645.31 Synonym: 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl Ketone,2-Butyl-3-[3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl]benzofuran,2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone,2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran,Amidorone,Ancaron,Sedacoron,Sedacorone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone SMILES: CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3

CAS 1951-25-3
Molecular Weight (g/mol) 645.31
SMILES CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
Synonym 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl Ketone,2-Butyl-3-[3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl]benzofuran,2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone,2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran,Amidorone,Ancaron,Sedacoron,Sedacorone
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
Molecular Formula C25H29I2NO3
12

2’-Hydroxyacetophenone, TRC

CAS: 118-93-4 Molecular Formula: C8 H8 O2 Molecular Weight (g/mol): 136.15 Synonym: 1-(2-Hydroxyphenyl)ethanone,Paracetamol Imp. I (EP),2-Hydroxyacetophenone IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)c1ccccc1O

CAS 118-93-4
Molecular Weight (g/mol) 136.15
SMILES CC(=O)c1ccccc1O
Synonym 1-(2-Hydroxyphenyl)ethanone,Paracetamol Imp. I (EP),2-Hydroxyacetophenone
IUPAC Name 1-(2-hydroxyphenyl)ethanone
Molecular Formula C8 H8 O2
13

Deiodo Amiodarone, TRC

CAS: 85642-08-6 Molecular Formula: C25 H30 I N O3 Molecular Weight (g/mol): 519.415 Synonym: Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]-,(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone,L 6355,(2-Butylbenzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone,Deiodo Amiodarone,Desiodoamiodarone,(2-Butylbenzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone SMILES: CCCCc1oc2ccccc2c1C(=O)c3ccc(OCCN(CC)CC)c(I)c3

CAS 85642-08-6
Molecular Weight (g/mol) 519.415
SMILES CCCCc1oc2ccccc2c1C(=O)c3ccc(OCCN(CC)CC)c(I)c3
Synonym Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]-,(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone,L 6355,(2-Butylbenzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone,Deiodo Amiodarone,Desiodoamiodarone,(2-Butylbenzofuran-3-yl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
Molecular Formula C25 H30 I N O3
14

Amiodarone Hydrochloride, TRC

CAS: 19774-82-4 Molecular Formula: C25 H29 I2 N O3 . Cl H Molecular Weight (g/mol): 681.77 Synonym: Amiodarone Hydrochloride,(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone hydrochloride,2-Butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride,Amiodar,Amiodarone hydrochloride,Amiodaronum hydrochloride,Ancoron,Angiodarona,Atlansil,Cordarex,Cordarone,Cordarone X,L 3428,L 3428-Labaz,Miocard,Miodaron,Ortacrone,Pacerone,Ritmocardyl,Rythmarone,SKF 33134A,Trangorex IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: Cl.CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3

CAS 19774-82-4
Molecular Weight (g/mol) 681.77
SMILES Cl.CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
Synonym Amiodarone Hydrochloride,(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone hydrochloride,2-Butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride,Amiodar,Amiodarone hydrochloride,Amiodaronum hydrochloride,Ancoron,Angiodarona,Atlansil,Cordarex,Cordarone,Cordarone X,L 3428,L 3428-Labaz,Miocard,Miodaron,Ortacrone,Pacerone,Ritmocardyl,Rythmarone,SKF 33134A,Trangorex
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride
Molecular Formula C25 H29 I2 N O3 . Cl H
15

Ethyl (4-bromobenzoyl)acetate, 95%

CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.1 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br

PubChem CID 2757149
CAS 26510-95-2
Molecular Weight (g/mol) 271.1
MDL Number MFCD00231243
SMILES CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
Synonym ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester
IUPAC Name ethyl 3-(4-bromophenyl)-3-oxopropanoate
InChI Key PBDYXCKRDRCJDC-UHFFFAOYSA-N
Molecular Formula C11H11BrO3