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

1-Heptyloxy-4-nitrobenzene, TCI America™

CAS: 13565-36-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD00024692 InChI Key: AVDKYVSWJDZALX-UHFFFAOYSA-N Synonym: Heptyl 4-Nitrophenyl Ether PubChem CID: 139499 IUPAC Name: 1-heptoxy-4-nitrobenzene SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	139499
CAS	13565-36-1
Molecular Weight (g/mol)	237.299
MDL Number	MFCD00024692
SMILES	CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Heptyl 4-Nitrophenyl Ether
IUPAC Name	1-heptoxy-4-nitrobenzene
InChI Key	AVDKYVSWJDZALX-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

107

2-Nitrophenetole 98.0+%, TCI America™

CAS: 610-67-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00053603 InChI Key: XGLGESCVNJSAQY-UHFFFAOYSA-N Synonym: 1-Ethoxy-2-nitrobenzene PubChem CID: 11889 IUPAC Name: 1-ethoxy-2-nitrobenzene SMILES: CCOC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	11889
CAS	610-67-3
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00053603
SMILES	CCOC1=CC=CC=C1[N+]([O-])=O
Synonym	1-Ethoxy-2-nitrobenzene
IUPAC Name	1-ethoxy-2-nitrobenzene
InChI Key	XGLGESCVNJSAQY-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

108

3-Nitrobenzaldehyde 98.0+%, TCI America™

CAS: 99-61-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 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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Specifications

PubChem CID	7449
CAS	99-61-6
Molecular Weight (g/mol)	151.121
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

109

4,5-Dimethoxy-2-nitrobenzonitrile 98.0+%, TCI America™

CAS: 102714-71-6 Molecular Formula: C9H8N2O4 Molecular Weight (g/mol): 208.173 InChI Key: NQSQQGDTYKGCOT-UHFFFAOYSA-N Synonym: 1-Cyano-4,5-dimethoxy-2-nitrobenzene, 6-Nitroveratronitrile PubChem CID: 1511288 IUPAC Name: 4,5-dimethoxy-2-nitrobenzonitrile SMILES: COC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OC

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Specifications

PubChem CID	1511288
CAS	102714-71-6
Molecular Weight (g/mol)	208.173
SMILES	COC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OC
Synonym	1-Cyano-4,5-dimethoxy-2-nitrobenzene, 6-Nitroveratronitrile
IUPAC Name	4,5-dimethoxy-2-nitrobenzonitrile
InChI Key	NQSQQGDTYKGCOT-UHFFFAOYSA-N
Molecular Formula	C9H8N2O4

110

4-Methoxy-3,5-dinitrotoluene 98.0+%, TCI America™

CAS: 29455-11-6 Molecular Formula: C8H8N2O5 Molecular Weight (g/mol): 212.16 MDL Number: MFCD00192097 InChI Key: HVNUPXQONRHUOX-UHFFFAOYSA-N Synonym: 4-Methyl-2,6-dinitroanisole, 1-Methoxy-4-methyl-2,6-dinitrobenzene PubChem CID: 259649 IUPAC Name: 2-methoxy-5-methyl-1,3-dinitrobenzene SMILES: COC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	259649
CAS	29455-11-6
Molecular Weight (g/mol)	212.16
MDL Number	MFCD00192097
SMILES	COC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	4-Methyl-2,6-dinitroanisole, 1-Methoxy-4-methyl-2,6-dinitrobenzene
IUPAC Name	2-methoxy-5-methyl-1,3-dinitrobenzene
InChI Key	HVNUPXQONRHUOX-UHFFFAOYSA-N
Molecular Formula	C8H8N2O5

111

1-Nitro-4-(trifluoromethoxy)benzene 96.0+%, TCI America™

CAS: 713-65-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00040302 InChI Key: UBEIKVUMDBCCRW-UHFFFAOYSA-N Synonym: 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole PubChem CID: 522405 IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	522405
CAS	713-65-5
Molecular Weight (g/mol)	207.11
MDL Number	MFCD00040302
SMILES	[O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym	1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole
IUPAC Name	1-nitro-4-(trifluoromethoxy)benzene
InChI Key	UBEIKVUMDBCCRW-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO3

112

4,5-Dimethoxy-2-nitrobenzyl Alcohol 98.0+%, TCI America™

CAS: 1016-58-6 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00014701 InChI Key: WBSCOJBVYHQOFB-UHFFFAOYSA-N Synonym: 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol PubChem CID: 66097 IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methanol SMILES: COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC

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Specifications

PubChem CID	66097
CAS	1016-58-6
Molecular Weight (g/mol)	213.189
MDL Number	MFCD00014701
SMILES	COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC
Synonym	4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol
IUPAC Name	(4,5-dimethoxy-2-nitrophenyl)methanol
InChI Key	WBSCOJBVYHQOFB-UHFFFAOYSA-N
Molecular Formula	C9H11NO5

113

4-Fluoro-3-nitrobenzaldehyde 95.0+%, TCI America™

CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

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Specifications

PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD01861388
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde
IUPAC Name	4-fluoro-3-nitrobenzaldehyde
InChI Key	ILKWFRCNNILIJW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

114

2-Methoxy-4-nitrobenzonitrile 97.0+%, TCI America™

CAS: 101084-96-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD02093781 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N

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Specifications

PubChem CID	291867
CAS	101084-96-2
Molecular Weight (g/mol)	178.147
MDL Number	MFCD02093781
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym	2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile
IUPAC Name	2-methoxy-4-nitrobenzonitrile
InChI Key	MLIKCKXLGYEGAO-UHFFFAOYSA-N
Molecular Formula	C8H6N2O3

115

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

CAS: 13120-77-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00043912 InChI Key: WVQGZNRUEVFXKR-UHFFFAOYSA-N Synonym: 1-Methoxy-2-methyl-5-nitrobenzene, 2-Methyl-5-nitroanisole PubChem CID: 83159 IUPAC Name: 2-methoxy-1-methyl-4-nitrobenzene SMILES: COC1=CC(=CC=C1C)[N+]([O-])=O

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Specifications

PubChem CID	83159
CAS	13120-77-9
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00043912
SMILES	COC1=CC(=CC=C1C)[N+]([O-])=O
Synonym	1-Methoxy-2-methyl-5-nitrobenzene, 2-Methyl-5-nitroanisole
IUPAC Name	2-methoxy-1-methyl-4-nitrobenzene
InChI Key	WVQGZNRUEVFXKR-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

116

1-Hexyloxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 15440-98-9 Molecular Formula: C12H17NO3 Molecular Weight (g/mol): 223.272 MDL Number: MFCD00043610 InChI Key: VLMYJULPWGTTAV-UHFFFAOYSA-N Synonym: Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene PubChem CID: 84912 IUPAC Name: 1-hexoxy-4-nitrobenzene SMILES: CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	84912
CAS	15440-98-9
Molecular Weight (g/mol)	223.272
MDL Number	MFCD00043610
SMILES	CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene
IUPAC Name	1-hexoxy-4-nitrobenzene
InChI Key	VLMYJULPWGTTAV-UHFFFAOYSA-N
Molecular Formula	C12H17NO3

117

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

CAS: 20357-20-4 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00456508 InChI Key: UFRVBZVJVRHSNR-UHFFFAOYSA-N PubChem CID: 97233 IUPAC Name: 5-bromo-2-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-]

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Specifications

PubChem CID	97233
CAS	20357-20-4
Molecular Weight (g/mol)	230.017
MDL Number	MFCD00456508
SMILES	C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-]
IUPAC Name	5-bromo-2-nitrobenzaldehyde
InChI Key	UFRVBZVJVRHSNR-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO3

118

2-Nitroanisole 98.0+%, TCI America™

CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	7048
CAS	91-23-6
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:48722
MDL Number	MFCD00007096
SMILES	COC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene
IUPAC Name	1-methoxy-2-nitrobenzene
InChI Key	CFBYEGUGFPZCNF-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

119

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

CAS: 1009-36-5 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00079739 InChI Key: JXIJUAWSDBACEB-UHFFFAOYSA-N Synonym: 2-Methoxy-4-nitrochlorobenzene PubChem CID: 70519 IUPAC Name: 1-chloro-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	70519
CAS	1009-36-5
Molecular Weight (g/mol)	187.579
MDL Number	MFCD00079739
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])Cl
Synonym	2-Methoxy-4-nitrochlorobenzene
IUPAC Name	1-chloro-2-methoxy-4-nitrobenzene
InChI Key	JXIJUAWSDBACEB-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO3

120

5-Nitroguaiacol 98.0+%, TCI America™

CAS: 636-93-1 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00015561 InChI Key: KXKCTSZYNCDFFG-UHFFFAOYSA-N Synonym: 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol PubChem CID: 69471 ChEBI: CHEBI:81049 IUPAC Name: 2-methoxy-5-nitrophenol SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])O

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Specifications

PubChem CID	69471
CAS	636-93-1
Molecular Weight (g/mol)	169.136
ChEBI	CHEBI:81049
MDL Number	MFCD00015561
SMILES	COC1=C(C=C(C=C1)[N+](=O)[O-])O
Synonym	5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol
IUPAC Name	2-methoxy-5-nitrophenol
InChI Key	KXKCTSZYNCDFFG-UHFFFAOYSA-N
Molecular Formula	C7H7NO4

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