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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106 – 120 of 870 results

106

3-Fluoro-4-nitrobenzaldehyde 97.0+%, TCI America™

CAS: 160538-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00968940 InChI Key: BWUIGISQVCIQBT-UHFFFAOYSA-N PubChem CID: 3808120 IUPAC Name: 3-fluoro-4-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]

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Specifications

PubChem CID	3808120
CAS	160538-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD00968940
SMILES	C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]
IUPAC Name	3-fluoro-4-nitrobenzaldehyde
InChI Key	BWUIGISQVCIQBT-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

107

2-Bromo-4-nitroanisole 98.0+%, TCI America™

CAS: 5197-28-4 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00041242 InChI Key: JMUDXQVNBZCQRF-UHFFFAOYSA-N Synonym: 2-bromo-4-nitroanisole,3-bromo-4-methoxynitrobenzene,anisole, 2-bromo-4-nitro,benzene, 2-bromo-1-methoxy-4-nitro,2-bromo-1-methoxy-4-nitro-benzene,pubchem4133,2-bromo4-nitroanisole,4-nitro-2-bromanisol,acmc-1awkm,2-bromo-4-nitro anisole PubChem CID: 78870 IUPAC Name: 2-bromo-1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1Br)[N+]([O-])=O

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Specifications

PubChem CID	78870
CAS	5197-28-4
Molecular Weight (g/mol)	232.03
MDL Number	MFCD00041242
SMILES	COC1=CC=C(C=C1Br)[N+]([O-])=O
Synonym	2-bromo-4-nitroanisole,3-bromo-4-methoxynitrobenzene,anisole, 2-bromo-4-nitro,benzene, 2-bromo-1-methoxy-4-nitro,2-bromo-1-methoxy-4-nitro-benzene,pubchem4133,2-bromo4-nitroanisole,4-nitro-2-bromanisol,acmc-1awkm,2-bromo-4-nitro anisole
IUPAC Name	2-bromo-1-methoxy-4-nitrobenzene
InChI Key	JMUDXQVNBZCQRF-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

108

2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O

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Specifications

PubChem CID	12654145
CAS	16634-91-6
Molecular Weight (g/mol)	165.148
MDL Number	MFCD03840506
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
IUPAC Name	2-methyl-5-nitrobenzaldehyde
InChI Key	JLFWTLNLOSUFMU-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

109

4-tert-Butyl-3-methoxy-2,6-dinitrotoluene 99.0+%, TCI America™

CAS: 83-66-9 Molecular Formula: C12H16N2O5 Molecular Weight (g/mol): 268.269 MDL Number: MFCD00024268 InChI Key: SUAUILGSCPYJCS-UHFFFAOYSA-N Synonym: 6-tert-Butyl-3-methyl-2,4-dinitroanisole PubChem CID: 6753 ChEBI: CHEBI:82495 IUPAC Name: 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]

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Specifications

PubChem CID	6753
CAS	83-66-9
Molecular Weight (g/mol)	268.269
ChEBI	CHEBI:82495
MDL Number	MFCD00024268
SMILES	CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
Synonym	6-tert-Butyl-3-methyl-2,4-dinitroanisole
IUPAC Name	1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
InChI Key	SUAUILGSCPYJCS-UHFFFAOYSA-N
Molecular Formula	C12H16N2O5

110

4-Methoxy-3-nitrobiphenyl 99.0+%, TCI America™

CAS: 15854-73-6 Molecular Formula: C13H11NO3 Molecular Weight (g/mol): 229.24 MDL Number: MFCD00191554 InChI Key: HVYOIIIEAVPMCR-UHFFFAOYSA-N Synonym: 2-Nitro-4-phenylanisole PubChem CID: 615238 IUPAC Name: 4-methoxy-3-nitro-1,1'-biphenyl SMILES: COC1=C(C=C(C=C1)C1=CC=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	615238
CAS	15854-73-6
Molecular Weight (g/mol)	229.24
MDL Number	MFCD00191554
SMILES	COC1=C(C=C(C=C1)C1=CC=CC=C1)[N+]([O-])=O
Synonym	2-Nitro-4-phenylanisole
IUPAC Name	4-methoxy-3-nitro-1,1'-biphenyl
InChI Key	HVYOIIIEAVPMCR-UHFFFAOYSA-N
Molecular Formula	C13H11NO3

111

5-Bromo-3-nitrosalicylaldehyde 97.0+%, TCI America™

CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br

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Specifications

PubChem CID	618699
CAS	16634-88-1
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00130110
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
Synonym	5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde
InChI Key	YEYPSUQQZNDKDE-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

112

3-Methoxy-2-nitrotoluene 98.0+%, TCI America™

CAS: 5345-42-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00007179 InChI Key: MGBRGNWARSQECY-UHFFFAOYSA-N Synonym: 3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,# PubChem CID: 79291 IUPAC Name: 1-methoxy-3-methyl-2-nitrobenzene SMILES: COC1=CC=CC(C)=C1[N+]([O-])=O

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Specifications

PubChem CID	79291
CAS	5345-42-6
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00007179
SMILES	COC1=CC=CC(C)=C1[N+]([O-])=O
Synonym	3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,#
IUPAC Name	1-methoxy-3-methyl-2-nitrobenzene
InChI Key	MGBRGNWARSQECY-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

113

5-Methoxy-2-nitrotoluene 98.0+%, TCI America™

CAS: 5367-32-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007167 InChI Key: RTZOGYCMIMOVHU-UHFFFAOYSA-N Synonym: 3-methyl-4-nitroanisole,5-methoxy-2-nitrotoluene,benzene, 4-methoxy-2-methyl-1-nitro,1-methoxy-3-methyl-4-nitrobenzene,4-methoxy-2-methyl-1-nitro-benzene,anisole, 3-methyl-4-nitro,3-methoxy-6-nitrotoluene,2-nitro-5-methoxy toluene,2-nitro-5-methoxymethylbenzene,pubchem4149 PubChem CID: 79330 IUPAC Name: 4-methoxy-2-methyl-1-nitrobenzene SMILES: CC1=C(C=CC(=C1)OC)[N+](=O)[O-]

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Specifications

PubChem CID	79330
CAS	5367-32-8
Molecular Weight (g/mol)	167.164
MDL Number	MFCD00007167
SMILES	CC1=C(C=CC(=C1)OC)[N+](=O)[O-]
Synonym	3-methyl-4-nitroanisole,5-methoxy-2-nitrotoluene,benzene, 4-methoxy-2-methyl-1-nitro,1-methoxy-3-methyl-4-nitrobenzene,4-methoxy-2-methyl-1-nitro-benzene,anisole, 3-methyl-4-nitro,3-methoxy-6-nitrotoluene,2-nitro-5-methoxy toluene,2-nitro-5-methoxymethylbenzene,pubchem4149
IUPAC Name	4-methoxy-2-methyl-1-nitrobenzene
InChI Key	RTZOGYCMIMOVHU-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

114

4-Methoxy-3-nitrotoluene 98.0+%, TCI America™

CAS: 119-10-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00024540 InChI Key: LGNMURXRPLMVJI-UHFFFAOYSA-N Synonym: 1-Methoxy-4-methyl-2-nitrobenzene, 4-Methyl-2-nitroanisole PubChem CID: 67058 IUPAC Name: 1-methoxy-4-methyl-2-nitrobenzene SMILES: COC1=CC=C(C)C=C1[N+]([O-])=O

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Specifications

PubChem CID	67058
CAS	119-10-8
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00024540
SMILES	COC1=CC=C(C)C=C1[N+]([O-])=O
Synonym	1-Methoxy-4-methyl-2-nitrobenzene, 4-Methyl-2-nitroanisole
IUPAC Name	1-methoxy-4-methyl-2-nitrobenzene
InChI Key	LGNMURXRPLMVJI-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

115

4-Methoxy-2-nitrophenol 98.0+%, TCI America™

CAS: 1568-70-3 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00024247 InChI Key: YBUGOACXDPDUIR-UHFFFAOYSA-N Synonym: phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol PubChem CID: 15285 IUPAC Name: 4-methoxy-2-nitrophenol SMILES: COC1=CC(=C(C=C1)O)[N+](=O)[O-]

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Specifications

PubChem CID	15285
CAS	1568-70-3
Molecular Weight (g/mol)	169.136
MDL Number	MFCD00024247
SMILES	COC1=CC(=C(C=C1)O)[N+](=O)[O-]
Synonym	phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol
IUPAC Name	4-methoxy-2-nitrophenol
InChI Key	YBUGOACXDPDUIR-UHFFFAOYSA-N
Molecular Formula	C7H7NO4

116

2-Bromo-5-nitroanisole 98.0+%, TCI America™

CAS: 77337-82-7 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00041250 InChI Key: NTKADLOYTKVXQN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole PubChem CID: 101293 IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	101293
CAS	77337-82-7
Molecular Weight (g/mol)	232.033
MDL Number	MFCD00041250
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole
IUPAC Name	1-bromo-2-methoxy-4-nitrobenzene
InChI Key	NTKADLOYTKVXQN-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

117

3-Bromo-2-nitroanisole 98.0+%, TCI America™

CAS: 500298-30-6 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD11101044 InChI Key: ORSPVBUIPTYLLO-UHFFFAOYSA-N Synonym: 1-Bromo-3-methoxy-2-nitrobenzene PubChem CID: 258734 IUPAC Name: 1-bromo-3-methoxy-2-nitrobenzene SMILES: COC1=C(C(Br)=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	258734
CAS	500298-30-6
Molecular Weight (g/mol)	232.03
MDL Number	MFCD11101044
SMILES	COC1=C(C(Br)=CC=C1)[N+]([O-])=O
Synonym	1-Bromo-3-methoxy-2-nitrobenzene
IUPAC Name	1-bromo-3-methoxy-2-nitrobenzene
InChI Key	ORSPVBUIPTYLLO-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

118

4-Bromo-3-nitroanisole 96.0+%, TCI America™

CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	79288
CAS	5344-78-5
Molecular Weight (g/mol)	232.03
MDL Number	MFCD00051511
SMILES	COC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym	4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655
IUPAC Name	1-bromo-4-methoxy-2-nitrobenzene
InChI Key	KCOBIBRGPCFIGF-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

119

2-Nitro-4-(trifluoromethoxy)aniline 98.0+%, TCI America™

CAS: 2267-23-4 Molecular Formula: C7H5F3N2O3 Molecular Weight (g/mol): 222.12 MDL Number: MFCD00042326 InChI Key: YCGFVAPIBALHRT-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline PubChem CID: 2775772 IUPAC Name: 2-nitro-4-(trifluoromethoxy)aniline SMILES: NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O

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Specifications

PubChem CID	2775772
CAS	2267-23-4
Molecular Weight (g/mol)	222.12
MDL Number	MFCD00042326
SMILES	NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O
Synonym	2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline
IUPAC Name	2-nitro-4-(trifluoromethoxy)aniline
InChI Key	YCGFVAPIBALHRT-UHFFFAOYSA-N
Molecular Formula	C7H5F3N2O3

120

5-Nitroguaiacol Sodium Salt 98.0+%, TCI America™

CAS: 67233-85-6 Molecular Formula: C7H6NNaO4 Molecular Weight (g/mol): 191.12 MDL Number: MFCD00070570 InChI Key: KBRKFTKQRMYINW-UHFFFAOYSA-M Synonym: 2-Methoxy-5-nitrophenol Sodium Salt PubChem CID: 3017748 IUPAC Name: sodium 2-methoxy-5-nitrobenzen-1-olate SMILES: [Na+].COC1=CC=C(C=C1[O-])[N+]([O-])=O

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Specifications

PubChem CID	3017748
CAS	67233-85-6
Molecular Weight (g/mol)	191.12
MDL Number	MFCD00070570
SMILES	[Na+].COC1=CC=C(C=C1[O-])[N+]([O-])=O
Synonym	2-Methoxy-5-nitrophenol Sodium Salt
IUPAC Name	sodium 2-methoxy-5-nitrobenzen-1-olate
InChI Key	KBRKFTKQRMYINW-UHFFFAOYSA-M
Molecular Formula	C7H6NNaO4

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