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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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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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

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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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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

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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

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Benzyl benzoate, 99+%

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2345
CAS	120-51-4
Molecular Weight (g/mol)	212.25
ChEBI	CHEBI:41237
MDL Number	MFCD00003075
SMILES	O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
Synonym	ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate
IUPAC Name	benzyl benzoate
InChI Key	SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula	C14H12O2

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2-Chloro-4-bromo-5-fluorobenzaldehyde, 98%

CAS: 1214386-29-4 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.452 MDL Number: MFCD13185877 InChI Key: XPEGZWLIWARWAA-UHFFFAOYSA-N Synonym: 2-chloro-4-bromo-5-fluorobenzaldehyde PubChem CID: 70680695 IUPAC Name: 4-bromo-2-chloro-5-fluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)Br)Cl)C=O

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Specifications

PubChem CID	70680695
CAS	1214386-29-4
Molecular Weight (g/mol)	237.452
MDL Number	MFCD13185877
SMILES	C1=C(C(=CC(=C1F)Br)Cl)C=O
Synonym	2-chloro-4-bromo-5-fluorobenzaldehyde
IUPAC Name	4-bromo-2-chloro-5-fluorobenzaldehyde
InChI Key	XPEGZWLIWARWAA-UHFFFAOYSA-N
Molecular Formula	C7H3BrClFO

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4-(Methylthio)benzaldehyde, 97%

CAS: 3446-89-7 Molecular Formula: C₈H₈OS Molecular Weight (g/mol): 152.21 MDL Number: MFCD00006948 InChI Key: QRVYABWJVXXOTN-UHFFFAOYSA-N Synonym: 4-methylthio benzaldehyde,benzaldehyde, 4-methylthio,4-methylsulfanyl benzaldehyde,4-methylmercaptobenzaldehyde,p-methylthio benzaldehyde,p-methylthiobenzaldehyde,unii-1tvq11biy8,4-aldehyde thioanisole,p-methylmercaptobenzaldehyde PubChem CID: 76985 IUPAC Name: 4-methylsulfanylbenzaldehyde SMILES: CSC1=CC=C(C=C1)C=O

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Specifications

PubChem CID	76985
CAS	3446-89-7
Molecular Weight (g/mol)	152.21
MDL Number	MFCD00006948
SMILES	CSC1=CC=C(C=C1)C=O
Synonym	4-methylthio benzaldehyde,benzaldehyde, 4-methylthio,4-methylsulfanyl benzaldehyde,4-methylmercaptobenzaldehyde,p-methylthio benzaldehyde,p-methylthiobenzaldehyde,unii-1tvq11biy8,4-aldehyde thioanisole,p-methylmercaptobenzaldehyde
IUPAC Name	4-methylsulfanylbenzaldehyde
InChI Key	QRVYABWJVXXOTN-UHFFFAOYSA-N
Molecular Formula	C₈H₈OS

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Pentafluorobenzaldehyde, 98%

CAS: 653-37-2 Molecular Formula: C₇HF₅O Molecular Weight (g/mol): 196.08 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F

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Specifications

PubChem CID	69558
CAS	653-37-2
Molecular Weight (g/mol)	196.08
MDL Number	MFCD00003303
SMILES	C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym	pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh
IUPAC Name	2,3,4,5,6-pentafluorobenzaldehyde
InChI Key	QJXCFMJTJYCLFG-UHFFFAOYSA-N
Molecular Formula	C₇HF₅O

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4-Chlorobenzaldehyde, 98%

CAS: 104-88-1 Molecular Formula: C₇H₅ClO Molecular Weight (g/mol): 140.57 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl

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Specifications

PubChem CID	7726
CAS	104-88-1
Molecular Weight (g/mol)	140.57
ChEBI	CHEBI:28105
SMILES	C1=CC(=CC=C1C=O)Cl
Synonym	p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z
IUPAC Name	4-chlorobenzaldehyde
InChI Key	AVPYQKSLYISFPO-UHFFFAOYSA-N
Molecular Formula	C₇H₅ClO

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2,3,4-Trimethoxybenzaldehyde, 99%

CAS: 2103-57-3 Molecular Formula: C₁₀H₁₂O₄ Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003310 InChI Key: UCTUXUGXIFRVGX-UHFFFAOYSA-N Synonym: trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r PubChem CID: 75006 IUPAC Name: 2,3,4-trimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)OC)OC

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Specifications

PubChem CID	75006
CAS	2103-57-3
Molecular Weight (g/mol)	196.2
MDL Number	MFCD00003310
SMILES	COC1=C(C(=C(C=C1)C=O)OC)OC
Synonym	trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r
IUPAC Name	2,3,4-trimethoxybenzaldehyde
InChI Key	UCTUXUGXIFRVGX-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₄

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3-Cyanobenzaldehyde, 99%

CAS: 24964-64-5 MDL Number: MFCD00003344 InChI Key: HGZJJKZPPMFIBU-UHFFFAOYSA-N Synonym: 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde PubChem CID: 90670 IUPAC Name: 3-formylbenzonitrile SMILES: C1=CC(=CC(=C1)C=O)C#N

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Specifications

PubChem CID	90670
CAS	24964-64-5
MDL Number	MFCD00003344
SMILES	C1=CC(=CC(=C1)C=O)C#N
Synonym	3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde
IUPAC Name	3-formylbenzonitrile
InChI Key	HGZJJKZPPMFIBU-UHFFFAOYSA-N

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2-Cyanobenzaldehyde, 98%

CAS: 7468-67-9 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00017503 InChI Key: QVTPWONEVZJCCS-UHFFFAOYSA-N Synonym: 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc PubChem CID: 101209 IUPAC Name: 2-formylbenzonitrile SMILES: O=CC1=CC=CC=C1C#N

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Specifications

PubChem CID	101209
CAS	7468-67-9
Molecular Weight (g/mol)	131.13
MDL Number	MFCD00017503
SMILES	O=CC1=CC=CC=C1C#N
Synonym	2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc
IUPAC Name	2-formylbenzonitrile
InChI Key	QVTPWONEVZJCCS-UHFFFAOYSA-N
Molecular Formula	C8H5NO

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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

p-Dimethylamino)benzaldehyde ACS AR, Macron Fine Chemicals™

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Specifications

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

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4-Chloro-2-fluorobenzaldehyde, 99%

CAS: 61072-56-8 Molecular Formula: C₇H₄ClFO Molecular Weight (g/mol): 158.56 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O

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Specifications

PubChem CID	2724908
CAS	61072-56-8
Molecular Weight (g/mol)	158.56
SMILES	C1=CC(=C(C=C1Cl)F)C=O
Synonym	2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985
IUPAC Name	4-chloro-2-fluorobenzaldehyde
InChI Key	UVGYSEIWAOOIJR-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClFO

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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

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