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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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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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

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Bis(2-ethylhexyl) phthalate, 98+%, Thermo Scientific Chemicals

CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

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PubChem CID	8343
CAS	117-81-7
Molecular Weight (g/mol)	390.564
ChEBI	CHEBI:17747
MDL Number	MFCD00009493
SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
Synonym	dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil
IUPAC Name	bis(2-ethylhexyl) benzene-1,2-dicarboxylate
InChI Key	BJQHLKABXJIVAM-UHFFFAOYSA-N
Molecular Formula	C24H38O4

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2,3,4-Trifluorobenzaldehyde, 98%, Thermo Scientific™

CAS: 161793-17-5 Molecular Formula: C₇H₃F₃O Molecular Weight (g/mol): 160.09 MDL Number: MFCD00061230 InChI Key: UQEDGFZRPSAHLC-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 PubChem CID: 519226 IUPAC Name: 2,3,4-trifluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)F

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PubChem CID	519226
CAS	161793-17-5
Molecular Weight (g/mol)	160.09
MDL Number	MFCD00061230
SMILES	C1=CC(=C(C(=C1C=O)F)F)F
Synonym	2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969
IUPAC Name	2,3,4-trifluorobenzaldehyde
InChI Key	UQEDGFZRPSAHLC-UHFFFAOYSA-N
Molecular Formula	C₇H₃F₃O

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2,3,6-Trifluorobenzaldehyde, 97%, Thermo Scientific™

CAS: 104451-70-9 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.10 MDL Number: MFCD00061195 InChI Key: XSBAHBVACIKRTG-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497 PubChem CID: 517845 IUPAC Name: 2,3,6-trifluorobenzaldehyde SMILES: FC1=CC=C(F)C(C=O)=C1F

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PubChem CID	517845
CAS	104451-70-9
Molecular Weight (g/mol)	160.10
MDL Number	MFCD00061195
SMILES	FC1=CC=C(F)C(C=O)=C1F
Synonym	benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497
IUPAC Name	2,3,6-trifluorobenzaldehyde
InChI Key	XSBAHBVACIKRTG-UHFFFAOYSA-N
Molecular Formula	C7H3F3O

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4-Dimethylaminobenzaldehyde, 98%, Thermo Scientific Chemicals

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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Di-n-butyl phthalate, 99%, Thermo Scientific Chemicals

CAS: 84-74-2 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00009441 InChI Key: DOIRQSBPFJWKBE-UHFFFAOYSA-N Synonym: dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db PubChem CID: 3026 ChEBI: CHEBI:34687 IUPAC Name: 1,2-dibutyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

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PubChem CID	3026
CAS	84-74-2
Molecular Weight (g/mol)	278.35
ChEBI	CHEBI:34687
MDL Number	MFCD00009441
SMILES	CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Synonym	dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db
IUPAC Name	1,2-dibutyl benzene-1,2-dicarboxylate
InChI Key	DOIRQSBPFJWKBE-UHFFFAOYSA-N
Molecular Formula	C16H22O4

4-(2-furyl)benzaldehyde, Thermo Scientific™

CAS: 60456-77-1 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 InChI Key: WBUXKMOCVYRVES-UHFFFAOYSA-N Synonym: 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde PubChem CID: 2772295 IUPAC Name: 4-(furan-2-yl)benzaldehyde SMILES: C1=COC(=C1)C2=CC=C(C=C2)C=O

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PubChem CID	2772295
CAS	60456-77-1
Molecular Weight (g/mol)	172.183
SMILES	C1=COC(=C1)C2=CC=C(C=C2)C=O
Synonym	4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde
IUPAC Name	4-(furan-2-yl)benzaldehyde
InChI Key	WBUXKMOCVYRVES-UHFFFAOYSA-N
Molecular Formula	C11H8O2

4-Pentylbenzoic acid, 97%, Thermo Scientific™

CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O

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PubChem CID	33479
CAS	26311-45-5
Molecular Weight (g/mol)	192.258
MDL Number	MFCD00002572
SMILES	CCCCCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid
IUPAC Name	4-pentylbenzoic acid
InChI Key	CWYNKKGQJYAHQG-UHFFFAOYSA-N
Molecular Formula	C12H16O2

3-Pyrimidin-2-ylbenzaldehyde, 97%, Thermo Scientific™

CAS: 263349-22-0 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.20 MDL Number: MFCD08056283 InChI Key: ZBAZYPXXIVHUFO-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-yl benzaldehyde,2-3-formylphenyl pyrimidine,3-2-pyrimidinyl benzaldehyde,benzaldehyde,3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl-9ci PubChem CID: 22630818 SMILES: O=CC1=CC=CC(=C1)C1=NC=CC=N1

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PubChem CID	22630818
CAS	263349-22-0
Molecular Weight (g/mol)	184.20
MDL Number	MFCD08056283
SMILES	O=CC1=CC=CC(=C1)C1=NC=CC=N1
Synonym	3-pyrimidin-2-yl benzaldehyde,2-3-formylphenyl pyrimidine,3-2-pyrimidinyl benzaldehyde,benzaldehyde,3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl-9ci
InChI Key	ZBAZYPXXIVHUFO-UHFFFAOYSA-N
Molecular Formula	C11H8N2O

4-Pyrimidin-2-ylbenzaldehyde, 95%, Thermo Scientific™

CAS: 77232-38-3 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.20 MDL Number: MFCD08056282 InChI Key: JUYLMPWKVWDXBE-UHFFFAOYSA-N PubChem CID: 12703722 SMILES: O=CC1=CC=C(C=C1)C1=NC=CC=N1

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PubChem CID	12703722
CAS	77232-38-3
Molecular Weight (g/mol)	184.20
MDL Number	MFCD08056282
SMILES	O=CC1=CC=C(C=C1)C1=NC=CC=N1
InChI Key	JUYLMPWKVWDXBE-UHFFFAOYSA-N
Molecular Formula	C11H8N2O

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N-Methoxy-N-methylbenzamide, 98%, Thermo Scientific™

CAS: 6919-61-5 Molecular Formula: C₉H₁₁NO₂ Molecular Weight (g/mol): 165.19 InChI Key: UKERDACREYXSIV-UHFFFAOYSA-N Synonym: n-methyl-n-methoxybenzamide,benzamide, n-methoxy-n-methyl,n-methoxy-n-methyl-benzamide,methyl n-methylbenzohydroxamate,pubchem17496,acmc-1b5bp,n-methoxy-n-methylbenzamid,n-methoxy-n-methyl benzamide,ksc445c3n,n-methoxy-n-methylbenzamide PubChem CID: 569575 ChEBI: CHEBI:59742 IUPAC Name: N-methoxy-N-methylbenzamide SMILES: CN(C(=O)C1=CC=CC=C1)OC

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PubChem CID	569575
CAS	6919-61-5
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:59742
SMILES	CN(C(=O)C1=CC=CC=C1)OC
Synonym	n-methyl-n-methoxybenzamide,benzamide, n-methoxy-n-methyl,n-methoxy-n-methyl-benzamide,methyl n-methylbenzohydroxamate,pubchem17496,acmc-1b5bp,n-methoxy-n-methylbenzamid,n-methoxy-n-methyl benzamide,ksc445c3n,n-methoxy-n-methylbenzamide
IUPAC Name	N-methoxy-N-methylbenzamide
InChI Key	UKERDACREYXSIV-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁NO₂

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2-Fluoro-3-methoxybenzaldehyde, 96%, Thermo Scientific™

CAS: 103438-88-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD03411962 InChI Key: LIHCOUDNHILORI-UHFFFAOYSA-N Synonym: 2-fluoro-3-methoxy benzaldehyde,2-fluoro-3-formylanisole,benzaldehyde, 2-fluoro-3-methoxy,zlchem 868,pubchem4224,acmc-1bs4m,flouro-3-methoxybenzaldehyde,2-fluoro-3-methoxy-benzaldehyde,benzaldehyde,2-fluoro-3-methoxy,2-fluoro-3-methoxybenzaldehyde PubChem CID: 3774463 IUPAC Name: 2-fluoro-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1F

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PubChem CID	3774463
CAS	103438-88-6
Molecular Weight (g/mol)	154.14
MDL Number	MFCD03411962
SMILES	COC1=CC=CC(C=O)=C1F
Synonym	2-fluoro-3-methoxy benzaldehyde,2-fluoro-3-formylanisole,benzaldehyde, 2-fluoro-3-methoxy,zlchem 868,pubchem4224,acmc-1bs4m,flouro-3-methoxybenzaldehyde,2-fluoro-3-methoxy-benzaldehyde,benzaldehyde,2-fluoro-3-methoxy,2-fluoro-3-methoxybenzaldehyde
IUPAC Name	2-fluoro-3-methoxybenzaldehyde
InChI Key	LIHCOUDNHILORI-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

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4-Chloro-3-fluorobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 5527-95-7 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl

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PubChem CID	2724985
CAS	5527-95-7
MDL Number	MFCD00143288
SMILES	C1=CC(=C(C=C1C=O)F)Cl
Synonym	3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa
IUPAC Name	4-chloro-3-fluorobenzaldehyde
InChI Key	AZMDWRPTDCIFRD-UHFFFAOYSA-N

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4-Fluoro-2-methoxybenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 450-83-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143318 InChI Key: PTKRQIRPNNIORO-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-2-methoxy,4-fluoro-2-methoxy-benzaldehyde,4-fluoro-o-anisaldehyde,fluoromethoxybenzaldehyde4,pubchem2635,5-fluoro-2-formylanisole,acmc-1ags2,ksc494s3t,4-fluoro-2-methoxybenzal dehyde PubChem CID: 2774537 IUPAC Name: 4-fluoro-2-methoxybenzaldehyde SMILES: COC1=CC(F)=CC=C1C=O

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PubChem CID	2774537
CAS	450-83-9
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00143318
SMILES	COC1=CC(F)=CC=C1C=O
Synonym	2-methoxy-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-2-methoxy,4-fluoro-2-methoxy-benzaldehyde,4-fluoro-o-anisaldehyde,fluoromethoxybenzaldehyde4,pubchem2635,5-fluoro-2-formylanisole,acmc-1ags2,ksc494s3t,4-fluoro-2-methoxybenzal dehyde
IUPAC Name	4-fluoro-2-methoxybenzaldehyde
InChI Key	PTKRQIRPNNIORO-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

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5-Bromo-2-chlorobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 189628-37-3 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08445659 InChI Key: DPKKRQAEYWOISP-UHFFFAOYSA-N PubChem CID: 10608925 IUPAC Name: 5-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=C(Br)C=C1

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Specifications

PubChem CID	10608925
CAS	189628-37-3
Molecular Weight (g/mol)	219.46
MDL Number	MFCD08445659
SMILES	ClC1=C(C=O)C=C(Br)C=C1
IUPAC Name	5-bromo-2-chlorobenzaldehyde
InChI Key	DPKKRQAEYWOISP-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

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