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

Di-n-pentyl phthalate, 98%

CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.402 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

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Specifications

PubChem CID	8561
CAS	131-18-0
Molecular Weight (g/mol)	306.402
ChEBI	CHEBI:34680
MDL Number	MFCD00041934
SMILES	CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
Synonym	dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester
IUPAC Name	dipentyl benzene-1,2-dicarboxylate
InChI Key	IPKKHRVROFYTEK-UHFFFAOYSA-N
Molecular Formula	C18H26O4

2-Fluoro-6-methylbenzaldehyde, 97%

CAS: 117752-04-2 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD09258962 InChI Key: BGQBJWPZBBMKEI-UHFFFAOYSA-N PubChem CID: 14170517 IUPAC Name: 2-fluoro-6-methylbenzaldehyde SMILES: CC1=C(C=O)C(F)=CC=C1

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PubChem CID	14170517
CAS	117752-04-2
Molecular Weight (g/mol)	138.14
MDL Number	MFCD09258962
SMILES	CC1=C(C=O)C(F)=CC=C1
IUPAC Name	2-fluoro-6-methylbenzaldehyde
InChI Key	BGQBJWPZBBMKEI-UHFFFAOYSA-N
Molecular Formula	C8H7FO

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

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

Ethyl 4-aminobenzoate, 98%

CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1

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Specifications

PubChem CID	2337
CAS	94-09-7
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:116735
MDL Number	MFCD00007892
SMILES	CCOC(=O)C1=CC=C(N)C=C1
Synonym	benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin
IUPAC Name	ethyl 4-aminobenzoate
InChI Key	BLFLLBZGZJTVJG-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

Phthaldialdehyde, 98%

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O

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Specifications

PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
IUPAC Name	phthalaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

Diisobutyl phthalate, 99%, Thermo Scientific™

CAS: 84-69-5 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00026480 InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N Synonym: diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate PubChem CID: 6782 ChEBI: CHEBI:79053 IUPAC Name: 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C

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Specifications

PubChem CID	6782
CAS	84-69-5
Molecular Weight (g/mol)	278.35
ChEBI	CHEBI:79053
MDL Number	MFCD00026480
SMILES	CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Synonym	diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate
IUPAC Name	1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate
InChI Key	MGWAVDBGNNKXQV-UHFFFAOYSA-N
Molecular Formula	C16H22O4

m-Toluic acid, 99%

CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O

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Specifications

PubChem CID	7418
CAS	99-04-7
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:10589
MDL Number	MFCD00002523
SMILES	CC1=CC=CC(=C1)C(O)=O
Synonym	m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext
IUPAC Name	3-methylbenzoic acid
InChI Key	GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Formula	C8H8O2

3,4-Difluorobenzaldehyde, 96%

CAS: 34036-07-2 Molecular Formula: C₇H₄F₂O Molecular Weight (g/mol): 142.1 MDL Number: MFCD00010328 InChI Key: JPHKMYXKNKLNDF-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde PubChem CID: 588088 IUPAC Name: 3,4-difluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)F

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Specifications

PubChem CID	588088
CAS	34036-07-2
Molecular Weight (g/mol)	142.1
MDL Number	MFCD00010328
SMILES	C1=CC(=C(C=C1C=O)F)F
Synonym	benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde
IUPAC Name	3,4-difluorobenzaldehyde
InChI Key	JPHKMYXKNKLNDF-UHFFFAOYSA-N
Molecular Formula	C₇H₄F₂O

2-Bromo-4,5-difluorobenzaldehyde, 98%

CAS: 476620-54-9 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD16659662 InChI Key: ZHSZEWFWVDLMDL-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde PubChem CID: 21867425 IUPAC Name: 2-bromo-4,5-difluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)F)Br)C=O

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Specifications

PubChem CID	21867425
CAS	476620-54-9
Molecular Weight (g/mol)	221.001
MDL Number	MFCD16659662
SMILES	C1=C(C(=CC(=C1F)F)Br)C=O
Synonym	benzaldehyde, 2-bromo-4,5-difluoro,acmc-209ka1,2-bromo-4,5-difluoro-benzaldehyde
IUPAC Name	2-bromo-4,5-difluorobenzaldehyde
InChI Key	ZHSZEWFWVDLMDL-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

2,4-Difluorobenzaldehyde, 98%

CAS: 1550-35-2 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.11 MDL Number: MFCD00010326 InChI Key: WCGPCBACLBHDCI-UHFFFAOYSA-N PubChem CID: 73770 IUPAC Name: 2,4-difluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(F)=C1

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Specifications

PubChem CID	73770
CAS	1550-35-2
Molecular Weight (g/mol)	142.11
MDL Number	MFCD00010326
SMILES	FC1=CC=C(C=O)C(F)=C1
IUPAC Name	2,4-difluorobenzaldehyde
InChI Key	WCGPCBACLBHDCI-UHFFFAOYSA-N
Molecular Formula	C7H4F2O

4-Cyanobenzaldehyde, 98%

CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	66042
CAS	105-07-7
Molecular Weight (g/mol)	131.13
MDL Number	MFCD00003376
SMILES	O=CC1=CC=C(C=C1)C#N
Synonym	4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile
IUPAC Name	4-formylbenzonitrile
InChI Key	WZWIQYMTQZCSKI-UHFFFAOYSA-N
Molecular Formula	C8H5NO

3-Chlorobenzaldehyde, 97%

CAS: 587-04-2 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003350 InChI Key: SRWILAKSARHZPR-UHFFFAOYSA-N Synonym: m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde PubChem CID: 11477 IUPAC Name: 3-chlorobenzaldehyde SMILES: C1=CC(=CC(=C1)Cl)C=O

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Specifications

PubChem CID	11477
CAS	587-04-2
Molecular Weight (g/mol)	140.566
MDL Number	MFCD00003350
SMILES	C1=CC(=CC(=C1)Cl)C=O
Synonym	m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde
IUPAC Name	3-chlorobenzaldehyde
InChI Key	SRWILAKSARHZPR-UHFFFAOYSA-N
Molecular Formula	C7H5ClO

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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Specifications

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

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