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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4-chloro-3-nitrobenzaldehyde, 97%

CAS: 16588-34-4 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007078 InChI Key: HETBKLHJEWXWBM-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526 PubChem CID: 85505 IUPAC Name: 4-chloro-3-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(C=O)=CC=C1Cl

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PubChem CID	85505
CAS	16588-34-4
Molecular Weight (g/mol)	185.56
MDL Number	MFCD00007078
SMILES	[O-][N+](=O)C1=CC(C=O)=CC=C1Cl
Synonym	3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526
IUPAC Name	4-chloro-3-nitrobenzaldehyde
InChI Key	HETBKLHJEWXWBM-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO3

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2-Hydroxy-3-nitrobenzaldehyde, 98%

CAS: 5274-70-4 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00041874 InChI Key: NUGOTBXFVWXVTE-UHFFFAOYSA-N Synonym: 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro PubChem CID: 78934 IUPAC Name: 2-hydroxy-3-nitrobenzaldehyde SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O

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PubChem CID	78934
CAS	5274-70-4
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00041874
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
Synonym	3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro
IUPAC Name	2-hydroxy-3-nitrobenzaldehyde
InChI Key	NUGOTBXFVWXVTE-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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4,5-Dimethoxy-2-nitrobenzyl alcohol, 98%

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

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4-Fluoro-3-nitrobenzaldehyde, 97%, Thermo Scientific™

CAS: 42564-51-2 Molecular Formula: C₇H₄FNO₃ Molecular Weight (g/mol): 169.11 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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PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.11
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

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4-Bromo-2-fluoro-6-nitroanisole, 97%

CAS: 74266-66-3 Molecular Formula: C7H5BrFNO3 Molecular Weight (g/mol): 250.02 MDL Number: MFCD00013374 InChI Key: CVCAYLYLJKBSNV-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoro-6-nitroanisole,5-bromo-3-fluoro-2-methoxy-1-nitrobenzene,5-bromo-1-fluoro-2-methoxy-3-nitro-benzene,benzene, 5-bromo-1-fluoro-2-methoxy-3-nitro,4-bromo-2-fluoro-6-nitrophenyl methyl ether,timtec-bb sbb005948,acmc-20amnn,pubchem4134,4-bromo-2-fluoro-6-nitroanisol PubChem CID: 557159 IUPAC Name: 5-bromo-1-fluoro-2-methoxy-3-nitrobenzene SMILES: COC1=C(F)C=C(Br)C=C1[N+]([O-])=O

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PubChem CID	557159
CAS	74266-66-3
Molecular Weight (g/mol)	250.02
MDL Number	MFCD00013374
SMILES	COC1=C(F)C=C(Br)C=C1[N+]([O-])=O
Synonym	4-bromo-2-fluoro-6-nitroanisole,5-bromo-3-fluoro-2-methoxy-1-nitrobenzene,5-bromo-1-fluoro-2-methoxy-3-nitro-benzene,benzene, 5-bromo-1-fluoro-2-methoxy-3-nitro,4-bromo-2-fluoro-6-nitrophenyl methyl ether,timtec-bb sbb005948,acmc-20amnn,pubchem4134,4-bromo-2-fluoro-6-nitroanisol
IUPAC Name	5-bromo-1-fluoro-2-methoxy-3-nitrobenzene
InChI Key	CVCAYLYLJKBSNV-UHFFFAOYSA-N
Molecular Formula	C7H5BrFNO3

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4-Nitroguaiacol, 97%

CAS: 3251-56-7 Molecular Formula: C₇H₇NO₄ Molecular Weight (g/mol): 169.14 MDL Number: MFCD00012143 InChI Key: IZLVFLOBTPURLP-UHFFFAOYSA-N Synonym: 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol PubChem CID: 76738 ChEBI: CHEBI:81050 IUPAC Name: 2-methoxy-4-nitrophenol SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])O

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Specifications

PubChem CID	76738
CAS	3251-56-7
Molecular Weight (g/mol)	169.14
ChEBI	CHEBI:81050
MDL Number	MFCD00012143
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym	4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol
IUPAC Name	2-methoxy-4-nitrophenol
InChI Key	IZLVFLOBTPURLP-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO₄

2-Methoxy-4-nitroaniline 99.0+%, TCI America™

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

2-Nitrophenyl n-Octyl Ether 98.0+%, TCI America™

CAS: 37682-29-4 Molecular Formula: C14H21NO3 Molecular Weight (g/mol): 251.326 MDL Number: MFCD00014693 InChI Key: CXVOIIMJZFREMM-UHFFFAOYSA-N Synonym: 2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe PubChem CID: 169952 IUPAC Name: 1-nitro-2-octoxybenzene SMILES: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

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PubChem CID	169952
CAS	37682-29-4
Molecular Weight (g/mol)	251.326
MDL Number	MFCD00014693
SMILES	CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
Synonym	2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe
IUPAC Name	1-nitro-2-octoxybenzene
InChI Key	CXVOIIMJZFREMM-UHFFFAOYSA-N
Molecular Formula	C14H21NO3

5-Nitrovanillin 98.0+%, TCI America™

CAS: 6635-20-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007118 InChI Key: ZEHYRTJBFMZHCY-UHFFFAOYSA-N Synonym: 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline PubChem CID: 81134 ChEBI: CHEBI:48385 SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

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Specifications

PubChem CID	81134
CAS	6635-20-7
Molecular Weight (g/mol)	197.146
ChEBI	CHEBI:48385
MDL Number	MFCD00007118
SMILES	COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
Synonym	5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline
InChI Key	ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

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

CAS: 1145-76-2 Molecular Formula: C13H11NO3 Molecular Weight (g/mol): 229.24 MDL Number: MFCD00024672 InChI Key: YOVUXLHIVNBVKO-UHFFFAOYSA-N Synonym: Benzyl 4-Nitrophenyl Ether PubChem CID: 70842 IUPAC Name: 1-(benzyloxy)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	70842
CAS	1145-76-2
Molecular Weight (g/mol)	229.24
MDL Number	MFCD00024672
SMILES	[O-][N+](=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	Benzyl 4-Nitrophenyl Ether
IUPAC Name	1-(benzyloxy)-4-nitrobenzene
InChI Key	YOVUXLHIVNBVKO-UHFFFAOYSA-N
Molecular Formula	C13H11NO3

3-Nitroanisole 99.0+%, TCI America™

CAS: 555-03-3 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007237 InChI Key: WGYFINWERLNPHR-UHFFFAOYSA-N Synonym: 3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320 PubChem CID: 11140 ChEBI: CHEBI:48972 IUPAC Name: 1-methoxy-3-nitrobenzene SMILES: COC1=CC=CC(=C1)[N+](=O)[O-]

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PubChem CID	11140
CAS	555-03-3
Molecular Weight (g/mol)	153.137
ChEBI	CHEBI:48972
MDL Number	MFCD00007237
SMILES	COC1=CC=CC(=C1)[N+](=O)[O-]
Synonym	3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320
IUPAC Name	1-methoxy-3-nitrobenzene
InChI Key	WGYFINWERLNPHR-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

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

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

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

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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

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

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