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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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

3-Bromo-4-fluorobenzaldehyde, 98%

CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F

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Specifications

PubChem CID	173604
CAS	77771-02-9
Molecular Weight (g/mol)	203.01
MDL Number	MFCD00042186
SMILES	C1=CC(=C(C=C1C=O)Br)F
Synonym	4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde
IUPAC Name	3-bromo-4-fluorobenzaldehyde
InChI Key	FAHZIKXYYRGSHF-UHFFFAOYSA-N
Molecular Formula	C7H4BrFO

n-Hexyl benzoate, 98+%

CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	23235
CAS	6789-88-4
Molecular Weight (g/mol)	206.285
MDL Number	MFCD00051714
SMILES	CCCCCCOC(=O)C1=CC=CC=C1
Synonym	benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691
IUPAC Name	hexyl benzoate
InChI Key	UUGLJVMIFJNVFH-UHFFFAOYSA-N
Molecular Formula	C13H18O2

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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Specifications

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

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

CAS: 398456-82-1 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD08282773 InChI Key: OXBHKEYDKAWFLS-UHFFFAOYSA-N PubChem CID: 22139701 IUPAC Name: 3-bromo-2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1F)C=O)F)Br

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Specifications

PubChem CID	22139701
CAS	398456-82-1
Molecular Weight (g/mol)	221.001
MDL Number	MFCD08282773
SMILES	C1=CC(=C(C(=C1F)C=O)F)Br
IUPAC Name	3-bromo-2,6-difluorobenzaldehyde
InChI Key	OXBHKEYDKAWFLS-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

4-Methoxy-2-methylbenzaldehyde, 95%

CAS: 52289-54-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD02261771 InChI Key: WICYVKGMEJSDAO-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzaldehyde,4-methoxy-2-methyl-benzaldehyde,benzaldehyde, 4-methoxy-2-methyl,2-methyl-p-anisaldehyde,2-methyl-anisaldehyde,acmc-1aoyo,4-methoxy-2-methylbenzaldehyd,4-methoxy-2-methylbenzaldehyde,3-furane-2-amido benzoic acid PubChem CID: 283285 IUPAC Name: 4-methoxy-2-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)OC)C=O

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Specifications

PubChem CID	283285
CAS	52289-54-0
Molecular Weight (g/mol)	150.177
MDL Number	MFCD02261771
SMILES	CC1=C(C=CC(=C1)OC)C=O
Synonym	2-methyl-4-methoxybenzaldehyde,4-methoxy-2-methyl-benzaldehyde,benzaldehyde, 4-methoxy-2-methyl,2-methyl-p-anisaldehyde,2-methyl-anisaldehyde,acmc-1aoyo,4-methoxy-2-methylbenzaldehyd,4-methoxy-2-methylbenzaldehyde,3-furane-2-amido benzoic acid
IUPAC Name	4-methoxy-2-methylbenzaldehyde
InChI Key	WICYVKGMEJSDAO-UHFFFAOYSA-N
Molecular Formula	C9H10O2

2-Formylbenzeneboronic acid, 97%

CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O

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Specifications

PubChem CID	292189
CAS	40138-16-7
Molecular Weight (g/mol)	149.94
MDL Number	MFCD00151822
SMILES	OB(O)C1=CC=CC=C1C=O
Synonym	2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid
IUPAC Name	(2-formylphenyl)boronic acid
InChI Key	DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula	C7H7BO3

2,3-Dimethylbenzaldehyde, 97%

CAS: 5779-93-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00798004 InChI Key: UIFVCPMLQXKEEU-UHFFFAOYSA-N Synonym: benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde PubChem CID: 34224 IUPAC Name: 2,3-dimethylbenzaldehyde SMILES: CC1=CC=CC(=C1C)C=O

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Specifications

PubChem CID	34224
CAS	5779-93-1
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00798004
SMILES	CC1=CC=CC(=C1C)C=O
Synonym	benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde
IUPAC Name	2,3-dimethylbenzaldehyde
InChI Key	UIFVCPMLQXKEEU-UHFFFAOYSA-N
Molecular Formula	C9H10O

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

4-Acetamidobenzoic acid, 99+%

CAS: 556-08-1 Molecular Formula: C₉H₉NO₃ Molecular Weight (g/mol): 179.17 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	19266
CAS	556-08-1
Molecular Weight (g/mol)	179.17
ChEBI	CHEBI:46171
MDL Number	MFCD00002534
SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym	acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name	4-acetamidobenzoic acid
InChI Key	QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₃

2-Bromo-5-chlorobenzaldehyde, 97%

CAS: 174265-12-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00462870 InChI Key: IIISHLMCTDMUHH-UHFFFAOYSA-N Synonym: 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa PubChem CID: 15391279 IUPAC Name: 2-bromo-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)Br

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Specifications

PubChem CID	15391279
CAS	174265-12-4
Molecular Weight (g/mol)	219.462
MDL Number	MFCD00462870
SMILES	C1=CC(=C(C=C1Cl)C=O)Br
Synonym	5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa
IUPAC Name	2-bromo-5-chlorobenzaldehyde
InChI Key	IIISHLMCTDMUHH-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

2,5-Difluorobenzaldehyde, 98%

CAS: 2646-90-4 Molecular Formula: C₇H₄F₂O Molecular Weight (g/mol): 142.11 MDL Number: MFCD00010327 InChI Key: VVVOJODFBWBNBI-UHFFFAOYSA-N Synonym: 2,5-difluoro benzaldehyde,2,5-difluoro-benzaldehyde,2,5-difluorobenzaldehyde,benzaldehyde, 2,5-difluoro,timtec-bb sbb006570,2,5-difluorobenzalde,pubchem1437,2,5-fluorobenzaldehyde,2,5 difluorobenzaldehyde,acmc-1cq4a PubChem CID: 137663 IUPAC Name: 2,5-difluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)F

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Specifications

PubChem CID	137663
CAS	2646-90-4
Molecular Weight (g/mol)	142.11
MDL Number	MFCD00010327
SMILES	C1=CC(=C(C=C1F)C=O)F
Synonym	2,5-difluoro benzaldehyde,2,5-difluoro-benzaldehyde,2,5-difluorobenzaldehyde,benzaldehyde, 2,5-difluoro,timtec-bb sbb006570,2,5-difluorobenzalde,pubchem1437,2,5-fluorobenzaldehyde,2,5 difluorobenzaldehyde,acmc-1cq4a
IUPAC Name	2,5-difluorobenzaldehyde
InChI Key	VVVOJODFBWBNBI-UHFFFAOYSA-N
Molecular Formula	C₇H₄F₂O

Benzoyl isothiocyanate, 98%

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

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Specifications

PubChem CID	68284
CAS	532-55-8
Molecular Weight (g/mol)	163.194
MDL Number	MFCD00004815
SMILES	C1=CC=C(C=C1)C(=O)N=C=S
Synonym	benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name	benzoyl isothiocyanate
InChI Key	CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula	C8H5NOS

Mesitaldehyde, 97%

CAS: 487-68-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00003341 InChI Key: HIKRJHFHGKZKRI-UHFFFAOYSA-N Synonym: mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural PubChem CID: 10254 IUPAC Name: 2,4,6-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C(C)=C1

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Specifications

PubChem CID	10254
CAS	487-68-3
Molecular Weight (g/mol)	148.21
MDL Number	MFCD00003341
SMILES	CC1=CC(C)=C(C=O)C(C)=C1
Synonym	mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural
IUPAC Name	2,4,6-trimethylbenzaldehyde
InChI Key	HIKRJHFHGKZKRI-UHFFFAOYSA-N
Molecular Formula	C10H12O

2-Methoxybenzaldehyde, 98%

CAS: 135-02-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003308 InChI Key: PKZJLOCLABXVMC-UHFFFAOYSA-N Synonym: o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o PubChem CID: 8658 IUPAC Name: 2-methoxybenzaldehyde SMILES: COC1=CC=CC=C1C=O

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Specifications

PubChem CID	8658
CAS	135-02-4
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00003308
SMILES	COC1=CC=CC=C1C=O
Synonym	o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o
IUPAC Name	2-methoxybenzaldehyde
InChI Key	PKZJLOCLABXVMC-UHFFFAOYSA-N
Molecular Formula	C8H8O2

Benzoyl derivatives

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