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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 156 results
1

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

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
2

2-Nitrobenzaldehyde, 98+%

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 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-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.121
ChEBI CHEBI:66927
MDL Number MFCD00007132
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
3

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
4

4-Methoxy-2-nitroaniline, 99%

CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]

PubChem CID 66793
CAS 96-96-8
Molecular Weight (g/mol) 168.152
ChEBI CHEBI:48973
MDL Number MFCD00007152
SMILES COC1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt
IUPAC Name 4-methoxy-2-nitroaniline
InChI Key QFMJFXFXQAFGBO-UHFFFAOYSA-N
Molecular Formula C7H8N2O3
5

4-Fluoro-2-nitroanisole, 98%

CAS: 445-83-0 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.13 MDL Number: MFCD00013375 InChI Key: FWLPYISRFBKEKV-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j PubChem CID: 565656 IUPAC Name: 4-fluoro-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(F)C=C1)[N+]([O-])=O

PubChem CID 565656
CAS 445-83-0
Molecular Weight (g/mol) 171.13
MDL Number MFCD00013375
SMILES COC1=C(C=C(F)C=C1)[N+]([O-])=O
Synonym 4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j
IUPAC Name 4-fluoro-1-methoxy-2-nitrobenzene
InChI Key FWLPYISRFBKEKV-UHFFFAOYSA-N
Molecular Formula C7H6FNO3
6

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-]

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
7

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
8

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
9

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

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
10

4,5-Dimethoxy-2-nitrophenylacetonitrile, 98%

CAS: 17354-04-0 Molecular Formula: C10H10N2O4 Molecular Weight (g/mol): 222.20 MDL Number: MFCD00033967 InChI Key: PKDJSFDIQCAPSY-UHFFFAOYSA-N Synonym: 2-4,5-dimethoxy-2-nitrophenyl acetonitrile,4,5-dimethoxy-2-nitrophenyl acetonitrile,4,5-dimethoxy-2-nitrophenylacetonitrile,benzeneacetonitrile,4,5-dimethoxy-2-nitro,benzeneacetonitrile, 4,5-dimethoxy-2-nitro,acmc-1bvbg,2-nitro-4,5-dimethoxybenzyl cyanide,2-4,5-dimethoxy-2-nitrophenyl ethanenitrile,4,5-dimethoxy-2-nitro-phenyl-acetonitrile PubChem CID: 222992 IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetonitrile SMILES: COC1=CC(CC#N)=C(C=C1OC)[N+]([O-])=O

PubChem CID 222992
CAS 17354-04-0
Molecular Weight (g/mol) 222.20
MDL Number MFCD00033967
SMILES COC1=CC(CC#N)=C(C=C1OC)[N+]([O-])=O
Synonym 2-4,5-dimethoxy-2-nitrophenyl acetonitrile,4,5-dimethoxy-2-nitrophenyl acetonitrile,4,5-dimethoxy-2-nitrophenylacetonitrile,benzeneacetonitrile,4,5-dimethoxy-2-nitro,benzeneacetonitrile, 4,5-dimethoxy-2-nitro,acmc-1bvbg,2-nitro-4,5-dimethoxybenzyl cyanide,2-4,5-dimethoxy-2-nitrophenyl ethanenitrile,4,5-dimethoxy-2-nitro-phenyl-acetonitrile
IUPAC Name 2-(4,5-dimethoxy-2-nitrophenyl)acetonitrile
InChI Key PKDJSFDIQCAPSY-UHFFFAOYSA-N
Molecular Formula C10H10N2O4
11

5-Methoxy-2-nitroaniline, 98%

CAS: 16133-49-6 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00179573 InChI Key: QEHVRGACCVLLNN-UHFFFAOYSA-N Synonym: 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine PubChem CID: 85300 IUPAC Name: 5-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])N

PubChem CID 85300
CAS 16133-49-6
Molecular Weight (g/mol) 168.152
MDL Number MFCD00179573
SMILES COC1=CC(=C(C=C1)[N+](=O)[O-])N
Synonym 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine
IUPAC Name 5-methoxy-2-nitroaniline
InChI Key QEHVRGACCVLLNN-UHFFFAOYSA-N
Molecular Formula C7H8N2O3
12

4-Fluoro-2-nitrobenzaldehyde, 98%

CAS: 2923-96-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD01666439 InChI Key: ORCGMGUNVGVHDN-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde PubChem CID: 76226 IUPAC Name: 4-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(F)=CC=C1C=O

PubChem CID 76226
CAS 2923-96-8
Molecular Weight (g/mol) 169.11
MDL Number MFCD01666439
SMILES [O-][N+](=O)C1=CC(F)=CC=C1C=O
Synonym 4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde
IUPAC Name 4-fluoro-2-nitrobenzaldehyde
InChI Key ORCGMGUNVGVHDN-UHFFFAOYSA-N
Molecular Formula C7H4FNO3
13

4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

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

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
14

5-Bromo-3-nitrosalicylaldehyde, 97%

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

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
15

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