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Benzoyl derivatives

Organic compounds that are derived from compounds that contain a benzoyl functional group, which has the following formula: C6H5CO-.
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1

Homophthalic acid, 99%

CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O

PubChem CID 66643
CAS 89-51-0
Molecular Weight (g/mol) 180.159
MDL Number MFCD00004326
SMILES C1=CC=C(C(=C1)CC(=O)O)C(=O)O
Synonym homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid
IUPAC Name 2-(carboxymethyl)benzoic acid
InChI Key ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Molecular Formula C9H8O4
2

Homophthalic acid, 98%

CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O

PubChem CID 66643
CAS 89-51-0
Molecular Weight (g/mol) 180.16
MDL Number MFCD00004326
SMILES C1=CC=C(C(=C1)CC(=O)O)C(=O)O
Synonym homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid
IUPAC Name 2-(carboxymethyl)benzoic acid
InChI Key ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Molecular Formula C9H8O4
3

Ethyl phenylglyoxylate, 98%

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

PubChem CID 15349
CAS 1603-79-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:84260
MDL Number MFCD00009120
SMILES CCOC(=O)C(=O)C1=CC=CC=C1
Synonym ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name ethyl 2-oxo-2-phenylacetate
InChI Key QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula C10H10O3
4

Methyl benzoylformate, 99%

CAS: 15206-55-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00008443 InChI Key: YLHXLHGIAMFFBU-UHFFFAOYSA-N Synonym: methyl benzoylformate,methyl phenylglyoxylate,methyl oxophenylacetate,methyl phenylglyoxalate,benzoylformic acid methyl ester,methylbenzoylformate,phenylglyoxylic acid methyl ester,phenylglyoxylic acid, methyl ester,benzeneacetic acid, .alpha.-oxo-, methyl ester,unii-23f2045stg PubChem CID: 84835 ChEBI: CHEBI:84256 IUPAC Name: methyl 2-oxo-2-phenylacetate SMILES: COC(=O)C(=O)C1=CC=CC=C1

PubChem CID 84835
CAS 15206-55-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:84256
MDL Number MFCD00008443
SMILES COC(=O)C(=O)C1=CC=CC=C1
Synonym methyl benzoylformate,methyl phenylglyoxylate,methyl oxophenylacetate,methyl phenylglyoxalate,benzoylformic acid methyl ester,methylbenzoylformate,phenylglyoxylic acid methyl ester,phenylglyoxylic acid, methyl ester,benzeneacetic acid, .alpha.-oxo-, methyl ester,unii-23f2045stg
IUPAC Name methyl 2-oxo-2-phenylacetate
InChI Key YLHXLHGIAMFFBU-UHFFFAOYSA-N
Molecular Formula C9H8O3
5

Ethyl benzoylformate, 95%

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

PubChem CID 15349
CAS 1603-79-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:84260
MDL Number MFCD00009120
SMILES CCOC(=O)C(=O)C1=CC=CC=C1
Synonym ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name ethyl 2-oxo-2-phenylacetate
InChI Key QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula C10H10O3
6

Ethyl mesitylglyoxylate, 97%

CAS: 5524-57-2 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00151821 InChI Key: XRSPPFOBPRPYLD-UHFFFAOYSA-N Synonym: ethyl mesitylglyoxylate,ethyl 2-mesityl-2-oxoacetate,ethyl 2-oxo-2-2,4,6-trimethylphenyl acetate,acmc-1asq7,mesitylglyoxylic acid ethyl ester,ethyl 2,4,6-trimethylphenyl glyoxylate,alpha-oxo-2,4,6-trimethylbenzeneacetic acid ethyl ester PubChem CID: 2736481 IUPAC Name: ethyl 2-oxo-2-(2,4,6-trimethylphenyl)acetate SMILES: CCOC(=O)C(=O)C1=C(C=C(C=C1C)C)C

PubChem CID 2736481
CAS 5524-57-2
Molecular Weight (g/mol) 220.268
MDL Number MFCD00151821
SMILES CCOC(=O)C(=O)C1=C(C=C(C=C1C)C)C
Synonym ethyl mesitylglyoxylate,ethyl 2-mesityl-2-oxoacetate,ethyl 2-oxo-2-2,4,6-trimethylphenyl acetate,acmc-1asq7,mesitylglyoxylic acid ethyl ester,ethyl 2,4,6-trimethylphenyl glyoxylate,alpha-oxo-2,4,6-trimethylbenzeneacetic acid ethyl ester
IUPAC Name ethyl 2-oxo-2-(2,4,6-trimethylphenyl)acetate
InChI Key XRSPPFOBPRPYLD-UHFFFAOYSA-N
Molecular Formula C13H16O3
7

Phenylglyoxylic Acid, TRC

CAS: 611-73-4 Molecular Formula: C8 H6 O3 Molecular Weight (g/mol): 150.131 Synonym: Oxophenylacetic Acid,Glycopyrronium Bromide Imp. B (EP),Benzeneacetic acid, α-oxo- (9CI, ACI),Glyoxylic acid, phenyl- (6CI, 7CI, 8CI),α-Oxobenzeneacetic acid (ACI),2-Oxo-2-phenylacetate,2-Oxo-2-phenylacetic acid,2-Oxo-2-phenylethanoic acid,Benzoylformic acid,CAA 0869,Formic acid, benzoyl-,LFC 1849,NSC 28293,Phenylgloxylic acid,Phenylglyoxylic acid,Phenyloxoacetic acid,α-Ketophenylacetic acid IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)c1ccccc1

CAS 611-73-4
Molecular Weight (g/mol) 150.131
SMILES OC(=O)C(=O)c1ccccc1
Synonym Oxophenylacetic Acid,Glycopyrronium Bromide Imp. B (EP),Benzeneacetic acid, α-oxo- (9CI, ACI),Glyoxylic acid, phenyl- (6CI, 7CI, 8CI),α-Oxobenzeneacetic acid (ACI),2-Oxo-2-phenylacetate,2-Oxo-2-phenylacetic acid,2-Oxo-2-phenylethanoic acid,Benzoylformic acid,CAA 0869,Formic acid, benzoyl-,LFC 1849,NSC 28293,Phenylgloxylic acid,Phenylglyoxylic acid,Phenyloxoacetic acid,α-Ketophenylacetic acid
IUPAC Name 2-oxo-2-phenylacetic acid
Molecular Formula C8 H6 O3
8

n-Pentyl benzoate, 98+%

CAS: 2049-96-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00048843 InChI Key: QKNZNUNCDJZTCH-UHFFFAOYSA-N Synonym: amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl PubChem CID: 16296 IUPAC Name: pentyl benzoate SMILES: CCCCCOC(=O)C1=CC=CC=C1

PubChem CID 16296
CAS 2049-96-9
Molecular Weight (g/mol) 192.258
MDL Number MFCD00048843
SMILES CCCCCOC(=O)C1=CC=CC=C1
Synonym amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl
IUPAC Name pentyl benzoate
InChI Key QKNZNUNCDJZTCH-UHFFFAOYSA-N
Molecular Formula C12H16O2
9

Thermo Scientific Alfa Aesar 3-Chloro-2,6-difluorobenzaldehyde, 97%, Thermo Scientific™

CAS: 190011-87-1 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD01631323 InChI Key: HFKZZEDGXXYRDW-UHFFFAOYSA-N Synonym: benzaldehyde, 3-chloro-2,6-difluoro,pubchem2619,timtec-bb sbb003775,ksc495e6f,acmc-1c285,benzaldehyde,3-chloro-2,6-difluoro,3-chloro-2,6-difluorobenzaldehyde,3-chloranyl-2,6-bis fluoranyl benzaldehyde,3-chloro-2,6-difluoro benzaldehyde PubChem CID: 736338 IUPAC Name: 3-chloro-2,6-difluorobenzaldehyde SMILES: FC1=CC=C(Cl)C(F)=C1C=O

PubChem CID 736338
CAS 190011-87-1
Molecular Weight (g/mol) 176.55
MDL Number MFCD01631323
SMILES FC1=CC=C(Cl)C(F)=C1C=O
Synonym benzaldehyde, 3-chloro-2,6-difluoro,pubchem2619,timtec-bb sbb003775,ksc495e6f,acmc-1c285,benzaldehyde,3-chloro-2,6-difluoro,3-chloro-2,6-difluorobenzaldehyde,3-chloranyl-2,6-bis fluoranyl benzaldehyde,3-chloro-2,6-difluoro benzaldehyde
IUPAC Name 3-chloro-2,6-difluorobenzaldehyde
InChI Key HFKZZEDGXXYRDW-UHFFFAOYSA-N
Molecular Formula C7H3ClF2O
10

4-Methoxy-2-(trifluoromethoxy)benzaldehyde, 97%, Thermo Scientific™

CAS: 886503-52-2 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.15 MDL Number: MFCD06660317 InChI Key: NPUIWDQXZDLZIM-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy-4-methoxybenzaldehyde,4-methoxy-2-trifluoromethoxy benzaldehyde,4-formyl-3-trifluoromethoxy anisole,4-methoxy-2-trifluoromethyloxy benzaldehyde,2-formyl-5-methoxy-alpha,alpha,alpha-trifluoroanisole PubChem CID: 17750806 IUPAC Name: 4-methoxy-2-(trifluoromethoxy)benzaldehyde SMILES: COC1=CC(OC(F)(F)F)=C(C=O)C=C1

PubChem CID 17750806
CAS 886503-52-2
Molecular Weight (g/mol) 220.15
MDL Number MFCD06660317
SMILES COC1=CC(OC(F)(F)F)=C(C=O)C=C1
Synonym 2-trifluoromethoxy-4-methoxybenzaldehyde,4-methoxy-2-trifluoromethoxy benzaldehyde,4-formyl-3-trifluoromethoxy anisole,4-methoxy-2-trifluoromethyloxy benzaldehyde,2-formyl-5-methoxy-alpha,alpha,alpha-trifluoroanisole
IUPAC Name 4-methoxy-2-(trifluoromethoxy)benzaldehyde
InChI Key NPUIWDQXZDLZIM-UHFFFAOYSA-N
Molecular Formula C9H7F3O3