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Benzophenones

Organic compounds that contain two benzene rings fused by a ketone and have the following structure: (C6H5)2CO; commonly, carbons in the aromatic rings will have functional group substitutions.

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1

2-Benzoylbenzoic Acid, 98+%

CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1

PubChem CID 6813
CAS 85-52-9
Molecular Weight (g/mol) 226.23
MDL Number MFCD00002472
SMILES OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
Synonym o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid
IUPAC Name 2-benzoylbenzoic acid
InChI Key FGTYTUFKXYPTML-UHFFFAOYSA-N
Molecular Formula C14H10O3
2

4-Benzoylbenzoic acid, 98%

CAS: 611-95-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00002560 InChI Key: IFQUPKAISSPFTE-UHFFFAOYSA-N Synonym: p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx PubChem CID: 69147 IUPAC Name: 4-benzoylbenzoic acid SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

PubChem CID 69147
CAS 611-95-0
Molecular Weight (g/mol) 226.231
MDL Number MFCD00002560
SMILES C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
Synonym p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx
IUPAC Name 4-benzoylbenzoic acid
InChI Key IFQUPKAISSPFTE-UHFFFAOYSA-N
Molecular Formula C14H10O3
3

2-Benzoylbenzoic acid, 98%

CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1

PubChem CID 6813
CAS 85-52-9
Molecular Weight (g/mol) 226.23
MDL Number MFCD00002472
SMILES OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
Synonym o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid
IUPAC Name 2-benzoylbenzoic acid
InChI Key FGTYTUFKXYPTML-UHFFFAOYSA-N
Molecular Formula C14H10O3
4

3-Benzoylbenzoic acid, 98%

CAS: 579-18-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002518 InChI Key: AXJXRLHTQQONQR-UHFFFAOYSA-N PubChem CID: 101386 IUPAC Name: 3-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1

PubChem CID 101386
CAS 579-18-0
Molecular Weight (g/mol) 226.23
MDL Number MFCD00002518
SMILES OC(=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
IUPAC Name 3-benzoylbenzoic acid
InChI Key AXJXRLHTQQONQR-UHFFFAOYSA-N
Molecular Formula C14H10O3
5

4-Benzoylbenzoic acid, 99%

CAS: 611-95-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002560 InChI Key: IFQUPKAISSPFTE-UHFFFAOYSA-N Synonym: p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx PubChem CID: 69147 IUPAC Name: 4-benzoylbenzoic acid SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

PubChem CID 69147
CAS 611-95-0
Molecular Weight (g/mol) 226.23
MDL Number MFCD00002560
SMILES C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
Synonym p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx
IUPAC Name 4-benzoylbenzoic acid
InChI Key IFQUPKAISSPFTE-UHFFFAOYSA-N
Molecular Formula C14H10O3
6

2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98%

CAS: 85-54-1 Molecular Formula: C14H8ClNO5 Molecular Weight (g/mol): 305.67 MDL Number: MFCD00007082 InChI Key: RITAQDHCJBLSSL-UHFFFAOYSA-N Synonym: 2-4-chloro-3-nitrobenzoyl benzoic acid,benzoic acid, 2-4-chloro-3-nitrobenzoyl,3'-nitro-4'-chlorobenzoylbenzoic acid,benzoic acid, o-4-chloro-3-nitrobenzoyl,2-4-chloro-3-nitrophenyl carbonyl benzoic acid,acmc-209q6m,ksc496o4t,o-4-chloro-3-nitrobenzoyl benzoic acid,2-4-chloro-3-nitro-benzoyl benzoic acid,2-4'-chloro-3'-nitrobenzoyl benzoic acid PubChem CID: 66562 IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

PubChem CID 66562
CAS 85-54-1
Molecular Weight (g/mol) 305.67
MDL Number MFCD00007082
SMILES OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym 2-4-chloro-3-nitrobenzoyl benzoic acid,benzoic acid, 2-4-chloro-3-nitrobenzoyl,3'-nitro-4'-chlorobenzoylbenzoic acid,benzoic acid, o-4-chloro-3-nitrobenzoyl,2-4-chloro-3-nitrophenyl carbonyl benzoic acid,acmc-209q6m,ksc496o4t,o-4-chloro-3-nitrobenzoyl benzoic acid,2-4-chloro-3-nitro-benzoyl benzoic acid,2-4'-chloro-3'-nitrobenzoyl benzoic acid
IUPAC Name 2-(4-chloro-3-nitrobenzoyl)benzoic acid
InChI Key RITAQDHCJBLSSL-UHFFFAOYSA-N
Molecular Formula C14H8ClNO5
7

2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid hydrate, tech. 85%, may cont. up to 10% 2-propanol

CAS: 4065-45-6 Molecular Formula: C14H12O6S Molecular Weight (g/mol): 308.30 MDL Number: MFCD00024962 InChI Key: CXVGEDCSTKKODG-UHFFFAOYSA-N Synonym: sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum PubChem CID: 19988 IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid SMILES: COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1

PubChem CID 19988
CAS 4065-45-6
Molecular Weight (g/mol) 308.30
MDL Number MFCD00024962
SMILES COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1
Synonym sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum
IUPAC Name 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
InChI Key CXVGEDCSTKKODG-UHFFFAOYSA-N
Molecular Formula C14H12O6S
8

Fenofibric Acid, TRC

CAS: 42017-89-0 Molecular Formula: C17 H15 Cl O4 Molecular Weight (g/mol): 318.75 Synonym: Fenofibric Acid,Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-,2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid,2-[4'-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid,2-[p-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid,FNF acid,LF 153,LF 178 acid,NSC 281318,Procetofenic acid,α-1081 IUPAC Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid SMILES: CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O

CAS 42017-89-0
Molecular Weight (g/mol) 318.75
SMILES CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O
Synonym Fenofibric Acid,Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-,2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid,2-[4'-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid,2-[p-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid,FNF acid,LF 153,LF 178 acid,NSC 281318,Procetofenic acid,α-1081
IUPAC Name 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Molecular Formula C17 H15 Cl O4
9

2-Chloro Fenofibric Acid, TRC

CAS: 61024-31-5 Molecular Formula: C17H15ClO4 Molecular Weight (g/mol): 318.75 Synonym: 2-[4-(2-Chlorobenzoyl)phenoxy]-2-methylpropanoic Acid,LF 590 IUPAC Name: 2-[4-(2-chlorobenzoyl)phenoxy]-2-methylpropanoic acid SMILES: CC(C)(Oc1ccc(cc1)C(=O)c2ccccc2Cl)C(=O)O

CAS 61024-31-5
Molecular Weight (g/mol) 318.75
SMILES CC(C)(Oc1ccc(cc1)C(=O)c2ccccc2Cl)C(=O)O
Synonym 2-[4-(2-Chlorobenzoyl)phenoxy]-2-methylpropanoic Acid,LF 590
IUPAC Name 2-[4-(2-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Molecular Formula C17H15ClO4
10

Fenofibric Acid Ethyl Ester, TRC

CAS: 42019-08-9 Molecular Formula: C19 H19 Cl O4 Molecular Weight (g/mol): 346.8 Synonym: Ethyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate,Fenofibrate Imp. E (EP) IUPAC Name: ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

CAS 42019-08-9
Molecular Weight (g/mol) 346.8
SMILES CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Synonym Ethyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate,Fenofibrate Imp. E (EP)
IUPAC Name ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Molecular Formula C19 H19 Cl O4
11

Fenofibric Acid Methyl Ester, TRC

CAS: 42019-07-8 Molecular Formula: C18 H17 Cl O4 Molecular Weight (g/mol): 332.78 Synonym: Methyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate,Fenofibrate Imp. D (EP) IUPAC Name: methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: COC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

CAS 42019-07-8
Molecular Weight (g/mol) 332.78
SMILES COC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Synonym Methyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate,Fenofibrate Imp. D (EP)
IUPAC Name methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Molecular Formula C18 H17 Cl O4
12

2',4'-Dihydroxy-2-benzoylbenzoic Acid, TRC

CAS: 2513-33-9 Molecular Formula: C14 H10 O5 Molecular Weight (g/mol): 258.23 Synonym: 2-(2,4-Dihydroxybenzoyl)benzoic Acid,Fluorescein Sodium Imp. C (EP) IUPAC Name: 2-(2,4-dihydroxybenzoyl)benzoic acid SMILES: OC(=O)c1ccccc1C(=O)c2ccc(O)cc2O

CAS 2513-33-9
Molecular Weight (g/mol) 258.23
SMILES OC(=O)c1ccccc1C(=O)c2ccc(O)cc2O
Synonym 2-(2,4-Dihydroxybenzoyl)benzoic Acid,Fluorescein Sodium Imp. C (EP)
IUPAC Name 2-(2,4-dihydroxybenzoyl)benzoic acid
Molecular Formula C14 H10 O5
13

Fenofibric Acid Acyl-Beta-D-glucuronide (~90%), TRC

CAS: 60318-63-0 Molecular Formula: C23 H23 Cl O10 Molecular Weight (g/mol): 494.88 Synonym: Fenofibric Acid Acyl-Beta-D-Glucuronide IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O

CAS 60318-63-0
Molecular Weight (g/mol) 494.88
SMILES CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O
Synonym Fenofibric Acid Acyl-Beta-D-Glucuronide
IUPAC Name (2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C23 H23 Cl O10
14

2-Amino-3-(4-bromobenzoyl)benzoic Acid, TRC

CAS: 241496-82-2 Molecular Formula: C14 H10 Br N O3 Molecular Weight (g/mol): 320.14 IUPAC Name: 2-amino-3-(4-bromobenzoyl)benzoic acid SMILES: Nc1c(cccc1C(=O)c2ccc(Br)cc2)C(=O)O

CAS 241496-82-2
Molecular Weight (g/mol) 320.14
SMILES Nc1c(cccc1C(=O)c2ccc(Br)cc2)C(=O)O
IUPAC Name 2-amino-3-(4-bromobenzoyl)benzoic acid
Molecular Formula C14 H10 Br N O3
15

4-[4-(2-Propyn-1-yloxy)benzoyl]benzoic Acid, TRC

CAS: 1236196-77-2 Molecular Formula: C17 H12 O4 Molecular Weight (g/mol): 280.27 IUPAC Name: 4-(4-prop-2-ynoxybenzoyl)benzoic acid SMILES: OC(=O)c1ccc(cc1)C(=O)c2ccc(OCC#C)cc2

CAS 1236196-77-2
Molecular Weight (g/mol) 280.27
SMILES OC(=O)c1ccc(cc1)C(=O)c2ccc(OCC#C)cc2
IUPAC Name 4-(4-prop-2-ynoxybenzoyl)benzoic acid
Molecular Formula C17 H12 O4