Nitrobenzenes

Organic compounds that consist of a phenyl group with a nitro functional group substitution in the following structure: C6H5NO2; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond.

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2-Hydroxy-5-nitrobenzaldehyde, 98+%

CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O

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PubChem CID	66808
CAS	97-51-8
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007337
SMILES	OC1=CC=C(C=C1C=O)[N+]([O-])=O
Synonym	5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052
IUPAC Name	2-hydroxy-5-nitrobenzaldehyde
InChI Key	IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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2-Nitrobenzaldehyde, 99+%

CAS: 552-89-6 Molecular Formula: C₇H₅NO₃ Molecular Weight (g/mol): 151.12 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

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PubChem CID	11101
CAS	552-89-6
Molecular Weight (g/mol)	151.12
ChEBI	CHEBI:66927
SMILES	C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym	o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name	2-nitrobenzaldehyde
InChI Key	CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₃

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4-Nitroanisole, 97%

CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	7485
CAS	100-17-4
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:1911
MDL Number	MFCD00007327
SMILES	COC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh
IUPAC Name	1-methoxy-4-nitrobenzene
InChI Key	BNUHAJGCKIQFGE-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

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4-Iodo-3-nitroanisole, 98+%

CAS: 58755-70-7 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD00024195 InChI Key: JWZODIRSJJQOKY-UHFFFAOYSA-N Synonym: 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 PubChem CID: 292659 IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]

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PubChem CID	292659
CAS	58755-70-7
Molecular Weight (g/mol)	279.033
MDL Number	MFCD00024195
SMILES	COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569
IUPAC Name	1-iodo-4-methoxy-2-nitrobenzene
InChI Key	JWZODIRSJJQOKY-UHFFFAOYSA-N
Molecular Formula	C7H6INO3

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4-Nitrobenzaldehyde, 99%

CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	541
CAS	555-16-8
Molecular Weight (g/mol)	151.12
ChEBI	CHEBI:66926
MDL Number	MFCD00007346
SMILES	[O-][N+](=O)C1=CC=C(C=O)C=C1
Synonym	p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675
IUPAC Name	4-nitrobenzaldehyde
InChI Key	BXRFQSNOROATLV-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

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4-Iodo-2-nitroanisole, 98%

CAS: 52692-09-8 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD08060933 InChI Key: WULXGCDMVLQZBT-UHFFFAOYSA-N Synonym: 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene PubChem CID: 12249866 IUPAC Name: 4-iodo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)I)[N+](=O)[O-]

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PubChem CID	12249866
CAS	52692-09-8
Molecular Weight (g/mol)	279.033
MDL Number	MFCD08060933
SMILES	COC1=C(C=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene
IUPAC Name	4-iodo-1-methoxy-2-nitrobenzene
InChI Key	WULXGCDMVLQZBT-UHFFFAOYSA-N
Molecular Formula	C7H6INO3

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PubChem CID	541
CAS	555-16-8
Molecular Weight (g/mol)	151.12
ChEBI	CHEBI:66926
MDL Number	MFCD00007346
SMILES	[O-][N+](=O)C1=CC=C(C=O)C=C1
Synonym	p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675
IUPAC Name	4-nitrobenzaldehyde
InChI Key	BXRFQSNOROATLV-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

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3-Nitrobenzaldehyde, 99%

CAS: 99-61-6 Molecular Formula: C₇H₅NO₃ Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007249 InChI Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Synonym: m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde PubChem CID: 7449 IUPAC Name: 3-nitrobenzaldehyde SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=O

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PubChem CID	7449
CAS	99-61-6
Molecular Weight (g/mol)	151.12
MDL Number	MFCD00007249
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Synonym	m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde
IUPAC Name	3-nitrobenzaldehyde
InChI Key	ZETIVVHRRQLWFW-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₃

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4-Nitroanisole, 99+%

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Specifications

PubChem CID	7485
CAS	100-17-4
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:1911
MDL Number	MFCD00007327
SMILES	COC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh
IUPAC Name	1-methoxy-4-nitrobenzene
InChI Key	BNUHAJGCKIQFGE-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

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3-Nitrobenzaldehyde, 99%

CAS: 99-61-6 Molecular Formula: C7H5NO3 MDL Number: MFCD00007249 InChI Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Synonym: m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde PubChem CID: 7449 IUPAC Name: 3-nitrobenzaldehyde

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PubChem CID	7449
CAS	99-61-6
MDL Number	MFCD00007249
Synonym	m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde
IUPAC Name	3-nitrobenzaldehyde
InChI Key	ZETIVVHRRQLWFW-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

4-Nitrobenzaldehyde 98.0+%, TCI America™

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Specifications

PubChem CID	541
CAS	555-16-8
Molecular Weight (g/mol)	151.12
ChEBI	CHEBI:66926
MDL Number	MFCD00007346
SMILES	[O-][N+](=O)C1=CC=C(C=O)C=C1
Synonym	p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675
IUPAC Name	4-nitrobenzaldehyde
InChI Key	BXRFQSNOROATLV-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

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4-Fluoro-3-nitroanisole, 95%

CAS: 61324-93-4 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD11848442 InChI Key: ZRIKJXDEJYMBEJ-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# PubChem CID: 565653 IUPAC Name: 1-fluoro-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)F)[N+](=O)[O-]

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Specifications

PubChem CID	565653
CAS	61324-93-4
Molecular Weight (g/mol)	171.127
MDL Number	MFCD11848442
SMILES	COC1=CC(=C(C=C1)F)[N+](=O)[O-]
Synonym	4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,#
IUPAC Name	1-fluoro-4-methoxy-2-nitrobenzene
InChI Key	ZRIKJXDEJYMBEJ-UHFFFAOYSA-N
Molecular Formula	C7H6FNO3

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3-Bromo-5-nitrobenzaldehyde, 97+%

CAS: 355134-13-3 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00100097 InChI Key: OUDCOMBHRXKPIJ-UHFFFAOYSA-N Synonym: benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde PubChem CID: 16743966 IUPAC Name: 3-bromo-5-nitrobenzaldehyde SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O

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Specifications

PubChem CID	16743966
CAS	355134-13-3
Molecular Weight (g/mol)	230.017
MDL Number	MFCD00100097
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O
Synonym	benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde
IUPAC Name	3-bromo-5-nitrobenzaldehyde
InChI Key	OUDCOMBHRXKPIJ-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO3

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2-Methoxy-4-nitroaniline, 99%

CAS: 97-52-9 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007363 InChI Key: GVBHRNIWBGTNQA-UHFFFAOYSA-N Synonym: fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base PubChem CID: 7337 IUPAC Name: 2-methoxy-4-nitroaniline SMILES: COC1=CC(=CC=C1N)[N+]([O-])=O

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PubChem CID	7337
CAS	97-52-9
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00007363
SMILES	COC1=CC(=CC=C1N)[N+]([O-])=O
Synonym	fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base
IUPAC Name	2-methoxy-4-nitroaniline
InChI Key	GVBHRNIWBGTNQA-UHFFFAOYSA-N
Molecular Formula	C7H8N2O3

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2-Bromo-4-nitro-1-(trifluoromethoxy)benzene, 98%

CAS: 200958-40-3 Molecular Formula: C7H3BrF3NO3 Molecular Weight (g/mol): 286.00 MDL Number: MFCD04973758 InChI Key: LVTAFGFYMLODQP-UHFFFAOYSA-N PubChem CID: 24721641 IUPAC Name: 2-bromo-4-nitro-1-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	24721641
CAS	200958-40-3
Molecular Weight (g/mol)	286.00
MDL Number	MFCD04973758
SMILES	[O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1
IUPAC Name	2-bromo-4-nitro-1-(trifluoromethoxy)benzene
InChI Key	LVTAFGFYMLODQP-UHFFFAOYSA-N
Molecular Formula	C7H3BrF3NO3

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