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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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1 – 15 of 160 results
1

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

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
2

2,6-Dimethyl-4-nitroanisole, 99%

CAS: 14804-39-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00024537 InChI Key: HSDNHFOJTRMGER-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro PubChem CID: 139835 IUPAC Name: 2-methoxy-1,3-dimethyl-5-nitrobenzene SMILES: COC1=C(C)C=C(C=C1C)[N+]([O-])=O

PubChem CID 139835
CAS 14804-39-8
Molecular Weight (g/mol) 181.19
MDL Number MFCD00024537
SMILES COC1=C(C)C=C(C=C1C)[N+]([O-])=O
Synonym 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro
IUPAC Name 2-methoxy-1,3-dimethyl-5-nitrobenzene
InChI Key HSDNHFOJTRMGER-UHFFFAOYSA-N
Molecular Formula C9H11NO3
3

1-Difluoromethoxy-3-nitrobenzene, 98%, Thermo Scientific Chemicals

CAS: 22236-07-3 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.12 MDL Number: MFCD03407974 InChI Key: NYVCZALWNPMMSQ-UHFFFAOYSA-N Synonym: 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole PubChem CID: 2774117 IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OC(F)F)=C1

PubChem CID 2774117
CAS 22236-07-3
Molecular Weight (g/mol) 189.12
MDL Number MFCD03407974
SMILES [O-][N+](=O)C1=CC=CC(OC(F)F)=C1
Synonym 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole
IUPAC Name 1-(difluoromethoxy)-3-nitrobenzene
InChI Key NYVCZALWNPMMSQ-UHFFFAOYSA-N
Molecular Formula C7H5F2NO3
4

2-Hydroxy-3-methoxy-5-nitrobenzaldehyde, 98%

CAS: 17028-61-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00017033 InChI Key: HGKHVFKBOHFYSS-UHFFFAOYSA-N PubChem CID: 307886 IUPAC Name: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde SMILES: COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O

PubChem CID 307886
CAS 17028-61-4
Molecular Weight (g/mol) 197.15
MDL Number MFCD00017033
SMILES COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O
IUPAC Name 2-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI Key HGKHVFKBOHFYSS-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

2-Bromo-5-nitroanisole, 98%

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

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
6

2-Methoxy-4-nitrobenzonitrile, 98%

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

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
7

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

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
8

2,4-Dinitrobenzaldehyde, 98%

CAS: 528-75-6 Molecular Formula: C7H4N2O5 Molecular Weight (g/mol): 196.118 MDL Number: MFCD00013376 InChI Key: ZILXIZUBLXVYPI-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dinitro,unii-zac919yu3z,ccris 2684,zac919yu3z,pubchem8223,benzaldehyde,4-dinitro,2,4-dinitro-benzaldehyde,acmc-209l2f,3-07-00-00923 beilstein handbook reference,ksc490k9l PubChem CID: 68250 IUPAC Name: 2,4-dinitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O

PubChem CID 68250
CAS 528-75-6
Molecular Weight (g/mol) 196.118
MDL Number MFCD00013376
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
Synonym benzaldehyde, 2,4-dinitro,unii-zac919yu3z,ccris 2684,zac919yu3z,pubchem8223,benzaldehyde,4-dinitro,2,4-dinitro-benzaldehyde,acmc-209l2f,3-07-00-00923 beilstein handbook reference,ksc490k9l
IUPAC Name 2,4-dinitrobenzaldehyde
InChI Key ZILXIZUBLXVYPI-UHFFFAOYSA-N
Molecular Formula C7H4N2O5
9

2-Methoxy-4-nitrophenyl isothiocyanate, 97%

CAS: 190774-55-1 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.207 MDL Number: MFCD00041379 InChI Key: NXWXXLFRMVILJN-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci PubChem CID: 610837 IUPAC Name: 1-isothiocyanato-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

PubChem CID 610837
CAS 190774-55-1
Molecular Weight (g/mol) 210.207
MDL Number MFCD00041379
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
Synonym 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci
IUPAC Name 1-isothiocyanato-2-methoxy-4-nitrobenzene
InChI Key NXWXXLFRMVILJN-UHFFFAOYSA-N
Molecular Formula C8H6N2O3S
10

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

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
11

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

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
12

2-Fluoro-5-nitrobenzaldehyde, 98%

CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F

PubChem CID 2734770
CAS 27996-87-8
Molecular Weight (g/mol) 169.111
MDL Number MFCD00042298
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
Synonym fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde
IUPAC Name 2-fluoro-5-nitrobenzaldehyde
InChI Key VVXFDFQEIRGULC-UHFFFAOYSA-N
Molecular Formula C7H4FNO3
13

1,3,5-Trimethoxy-2-nitrobenzene, 98%

CAS: 14227-18-0 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00016992 InChI Key: VWYAWLZEMLQGJH-UHFFFAOYSA-N PubChem CID: 518903 IUPAC Name: 1,3,5-trimethoxy-2-nitrobenzene SMILES: COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC

PubChem CID 518903
CAS 14227-18-0
Molecular Weight (g/mol) 213.189
MDL Number MFCD00016992
SMILES COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC
IUPAC Name 1,3,5-trimethoxy-2-nitrobenzene
InChI Key VWYAWLZEMLQGJH-UHFFFAOYSA-N
Molecular Formula C9H11NO5
14

3-Bromo-5-nitrosalicylaldehyde, 98%

CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O

PubChem CID 519307
CAS 16789-84-7
Molecular Weight (g/mol) 246.02
MDL Number MFCD00051833
SMILES OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
Synonym 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde
IUPAC Name 3-bromo-2-hydroxy-5-nitrobenzaldehyde
InChI Key BESBCGANGAEHPM-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
15

1-(2-bromoethoxy)-4-nitrobenzene, 98%

CAS: 13288-06-7 Molecular Formula: C8H8BrNO3 Molecular Weight (g/mol): 246.06 MDL Number: MFCD00031363 InChI Key: YQWCBDNNEZHPMA-UHFFFAOYSA-N Synonym: 1-2-bromoethoxy-4-nitrobenzene,2-bromoethyl 4-nitrophenyl ether,beta-bromo-4-nitrophenetole,2-4-nitrophenoxy ethyl bromide,4-2-bromoethoxy-1-nitrobenzene,1-2-bromoethyloxy-4-nitro-benzene,benzene, 1-2-bromoethoxy-4-nitro,4-2-bromoethoxy nitrobenzene,acmc-1azdi PubChem CID: 235987 IUPAC Name: 1-(2-bromoethoxy)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(OCCBr)C=C1

PubChem CID 235987
CAS 13288-06-7
Molecular Weight (g/mol) 246.06
MDL Number MFCD00031363
SMILES [O-][N+](=O)C1=CC=C(OCCBr)C=C1
Synonym 1-2-bromoethoxy-4-nitrobenzene,2-bromoethyl 4-nitrophenyl ether,beta-bromo-4-nitrophenetole,2-4-nitrophenoxy ethyl bromide,4-2-bromoethoxy-1-nitrobenzene,1-2-bromoethyloxy-4-nitro-benzene,benzene, 1-2-bromoethoxy-4-nitro,4-2-bromoethoxy nitrobenzene,acmc-1azdi
IUPAC Name 1-(2-bromoethoxy)-4-nitrobenzene
InChI Key YQWCBDNNEZHPMA-UHFFFAOYSA-N
Molecular Formula C8H8BrNO3