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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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

Isopropyl 4-aminobenzoate, 98%

CAS: 18144-43-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00017108 InChI Key: JWCPZKNBPMSYND-UHFFFAOYSA-N Synonym: isopropyl 4-aminobenzoate,4-amino-benzoic acid isopropyl ester,isopropyl p-aminobenzoate,4-aminobenzoic acid isopropyl ester,benzoic acid, 4-amino-, 1-methylethyl ester,benzoic acid, p-amino-, isopropyl ester,methylethyl 4-aminobenzoate,isopropyl-4-aminobenzoate,4-isopropoxycarbonylaniline,acmc-1brt8 PubChem CID: 87470 IUPAC Name: propan-2-yl 4-aminobenzoate SMILES: CC(C)OC(=O)C1=CC=C(C=C1)N

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PubChem CID	87470
CAS	18144-43-9
Molecular Weight (g/mol)	179.219
MDL Number	MFCD00017108
SMILES	CC(C)OC(=O)C1=CC=C(C=C1)N
Synonym	isopropyl 4-aminobenzoate,4-amino-benzoic acid isopropyl ester,isopropyl p-aminobenzoate,4-aminobenzoic acid isopropyl ester,benzoic acid, 4-amino-, 1-methylethyl ester,benzoic acid, p-amino-, isopropyl ester,methylethyl 4-aminobenzoate,isopropyl-4-aminobenzoate,4-isopropoxycarbonylaniline,acmc-1brt8
IUPAC Name	propan-2-yl 4-aminobenzoate
InChI Key	JWCPZKNBPMSYND-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

4-Formylbenzeneboronic acid pinacol ester, 98%

CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1

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PubChem CID	2769536
CAS	128376-64-7
Molecular Weight (g/mol)	232.09
MDL Number	MFCD04972375
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
Synonym	4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key	DMBMXJJGPXADPO-UHFFFAOYSA-N
Molecular Formula	C13H17BO3

tert-Butyl hydrogen phthalate, 97%

CAS: 33693-84-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00043711 InChI Key: PBUQZKXKYSAJDO-UHFFFAOYSA-N Synonym: tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150 PubChem CID: 134976 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O

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PubChem CID	134976
CAS	33693-84-4
Molecular Weight (g/mol)	222.24
MDL Number	MFCD00043711
SMILES	CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O
Synonym	tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
InChI Key	PBUQZKXKYSAJDO-UHFFFAOYSA-N
Molecular Formula	C12H14O4

4-Cyanobenzoic acid, 98%

CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O

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PubChem CID	12087
CAS	619-65-8
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00002528
SMILES	C1=CC(=CC=C1C#N)C(=O)O
Synonym	p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid
IUPAC Name	4-cyanobenzoic acid
InChI Key	ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

4-Bromobenzaldehyde, 99%

CAS: 1122-91-4 Molecular Formula: C₇H₅BrO Molecular Weight (g/mol): 185.02 InChI Key: ZRYZBQLXDKPBDU-UHFFFAOYSA-N Synonym: p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd PubChem CID: 70741 IUPAC Name: 4-bromobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Br

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PubChem CID	70741
CAS	1122-91-4
Molecular Weight (g/mol)	185.02
SMILES	C1=CC(=CC=C1C=O)Br
Synonym	p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd
IUPAC Name	4-bromobenzaldehyde
InChI Key	ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Molecular Formula	C₇H₅BrO

6-Bromo-2,3-difluorobenzaldehyde, 98%

CAS: 360576-04-1 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD07368119 InChI Key: LAVPYRPTHABUAD-UHFFFAOYSA-N Synonym: benzaldehyde, 6-bromo-2,3-difluoro,6-bromo-2,3-difluoro-benzaldehyde,2-bromo-5,6-difluorobenzaldehyde,benzaldehyde,6-bromo-2,3-difluoro PubChem CID: 9877851 IUPAC Name: 6-bromo-2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1F)F)C=O)Br

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Specifications

PubChem CID	9877851
CAS	360576-04-1
Molecular Weight (g/mol)	221.001
MDL Number	MFCD07368119
SMILES	C1=CC(=C(C(=C1F)F)C=O)Br
Synonym	benzaldehyde, 6-bromo-2,3-difluoro,6-bromo-2,3-difluoro-benzaldehyde,2-bromo-5,6-difluorobenzaldehyde,benzaldehyde,6-bromo-2,3-difluoro
IUPAC Name	6-bromo-2,3-difluorobenzaldehyde
InChI Key	LAVPYRPTHABUAD-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

2-Iodo-5-methoxybenzaldehyde, 96%

CAS: 77287-58-2 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD18905098 InChI Key: YHRFMOFYYPMQBE-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo-5-methoxy,5-methoxy-2-iodobenzaldehyde,2-iodo-5-methoxybenzaldehyde PubChem CID: 10858258 IUPAC Name: 2-iodo-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)I)C=O

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PubChem CID	10858258
CAS	77287-58-2
Molecular Weight (g/mol)	262.046
MDL Number	MFCD18905098
SMILES	COC1=CC(=C(C=C1)I)C=O
Synonym	benzaldehyde, 2-iodo-5-methoxy,5-methoxy-2-iodobenzaldehyde,2-iodo-5-methoxybenzaldehyde
IUPAC Name	2-iodo-5-methoxybenzaldehyde
InChI Key	YHRFMOFYYPMQBE-UHFFFAOYSA-N
Molecular Formula	C8H7IO2

2-Fluoro-5-formylphenylboronic acid pinacol ester, 95%

CAS: 1112208-82-8 Molecular Formula: C13H16BFO3 Molecular Weight (g/mol): 250.08 MDL Number: MFCD11867877 InChI Key: WHYMLQVABFAGEK-UHFFFAOYSA-N Synonym: 2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 46738018 IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1

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Specifications

PubChem CID	46738018
CAS	1112208-82-8
Molecular Weight (g/mol)	250.08
MDL Number	MFCD11867877
SMILES	CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1
Synonym	2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl
IUPAC Name	4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key	WHYMLQVABFAGEK-UHFFFAOYSA-N
Molecular Formula	C13H16BFO3

n-Propyl 4-aminobenzoate, 98%

CAS: 94-12-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00017111 InChI Key: NBFQYHKHPBMJJV-UHFFFAOYSA-N Synonym: risocaine,propaesin,propazyl,propesine,propylcain,raythesin,keloform p,propyl p-aminobenzoate,propesin,4-propoxycarbonyl aniline PubChem CID: 7174 IUPAC Name: propyl 4-aminobenzoate SMILES: CCCOC(=O)C1=CC=C(N)C=C1

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PubChem CID	7174
CAS	94-12-2
Molecular Weight (g/mol)	179.22
MDL Number	MFCD00017111
SMILES	CCCOC(=O)C1=CC=C(N)C=C1
Synonym	risocaine,propaesin,propazyl,propesine,propylcain,raythesin,keloform p,propyl p-aminobenzoate,propesin,4-propoxycarbonyl aniline
IUPAC Name	propyl 4-aminobenzoate
InChI Key	NBFQYHKHPBMJJV-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

1,2-Dibenzoylethylene, predominantly trans, 96%

CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2

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PubChem CID	735960
CAS	959-28-4
Molecular Weight (g/mol)	236.27
MDL Number	MFCD00003083
SMILES	C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
Synonym	trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene
IUPAC Name	(E)-1,4-diphenylbut-2-ene-1,4-dione
InChI Key	WYCXGQSQHAXLPK-VAWYXSNFSA-N
Molecular Formula	C16H12O2

4-Iodobenzaldehyde, 98+%

CAS: 15164-44-0 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039576 InChI Key: NIEBHDXUIJSHSL-UHFFFAOYSA-N Synonym: p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r PubChem CID: 96657 IUPAC Name: 4-iodobenzaldehyde SMILES: IC1=CC=C(C=O)C=C1

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Specifications

PubChem CID	96657
CAS	15164-44-0
Molecular Weight (g/mol)	232.02
MDL Number	MFCD00039576
SMILES	IC1=CC=C(C=O)C=C1
Synonym	p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r
IUPAC Name	4-iodobenzaldehyde
InChI Key	NIEBHDXUIJSHSL-UHFFFAOYSA-N
Molecular Formula	C7H5IO

Isophthalaldehyde, 98%

CAS: 626-19-7 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00003372 InChI Key: IZALUMVGBVKPJD-UHFFFAOYSA-N Synonym: isophthalaldehyde,m-phthalaldehyde,1,3-benzenedicarboxaldehyde,1,3-benzenedialdehyde,isophtaldehydes,isophthaldehyde,isophthaldialdehyde,isophtaldehydes french,isophthalic dicarboxaldehyde,unii-lu162b2n9x PubChem CID: 34777 IUPAC Name: benzene-1,3-dicarbaldehyde SMILES: C1=CC(=CC(=C1)C=O)C=O

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Specifications

PubChem CID	34777
CAS	626-19-7
Molecular Weight (g/mol)	134.134
MDL Number	MFCD00003372
SMILES	C1=CC(=CC(=C1)C=O)C=O
Synonym	isophthalaldehyde,m-phthalaldehyde,1,3-benzenedicarboxaldehyde,1,3-benzenedialdehyde,isophtaldehydes,isophthaldehyde,isophthaldialdehyde,isophtaldehydes french,isophthalic dicarboxaldehyde,unii-lu162b2n9x
IUPAC Name	benzene-1,3-dicarbaldehyde
InChI Key	IZALUMVGBVKPJD-UHFFFAOYSA-N
Molecular Formula	C8H6O2

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

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Specifications

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

Selectophore™ Diisodecyl phthalate, ≥99.0%, MilliporeSigma™ Supelco™

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Benzoyl derivatives

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