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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.
Molecular Weight (g/mol) 
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1 – 15 of 124 results
1

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

EDGE
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
2

3-Nitrobenzaldehyde, 99%

CAS: 99-61-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 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

PubChem CID 7449
CAS 99-61-6
Molecular Weight (g/mol) 151.12
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
3

2-Nitrobenzaldehyde, 99+%

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 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) 151.12
ChEBI CHEBI:66927
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
4

2-Hydroxy-5-nitrobenzaldehyde, 98%

CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O

PubChem CID 66808
CAS 97-51-8
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007337
SMILES OC1=CC=C(C=C1C=O)[N+]([O-])=O
Synonym 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052
IUPAC Name 2-hydroxy-5-nitrobenzaldehyde
InChI Key IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular Formula C7H5NO4
5

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
6

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
7

2-Chloro-6-nitrobenzaldehyde, 98%

CAS: 6361-22-4 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007204 InChI Key: RZDOUWDCYULHJX-UHFFFAOYSA-N PubChem CID: 80701 IUPAC Name: 2-chloro-6-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=CC(Cl)=C1C=O

PubChem CID 80701
CAS 6361-22-4
Molecular Weight (g/mol) 185.56
MDL Number MFCD00007204
SMILES [O-][N+](=O)C1=CC=CC(Cl)=C1C=O
IUPAC Name 2-chloro-6-nitrobenzaldehyde
InChI Key RZDOUWDCYULHJX-UHFFFAOYSA-N
Molecular Formula C7H4ClNO3
8

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
9

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
10

4-Bromo-2-nitroanisole, 97%

CAS: 33696-00-3 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00055529 InChI Key: ORBHQHXVVMZIDP-UHFFFAOYSA-N Synonym: 4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol PubChem CID: 118533 IUPAC Name: 4-bromo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)Br)[N+](=O)[O-]

PubChem CID 118533
CAS 33696-00-3
Molecular Weight (g/mol) 232.033
MDL Number MFCD00055529
SMILES COC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym 4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol
IUPAC Name 4-bromo-1-methoxy-2-nitrobenzene
InChI Key ORBHQHXVVMZIDP-UHFFFAOYSA-N
Molecular Formula C7H6BrNO3
11

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
12

4,5-Dimethoxy-2-nitrophenylacetic acid, 97%

CAS: 73357-18-3 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00118466 InChI Key: WJPMJFUEMVXUCV-UHFFFAOYSA-N Synonym: 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450 PubChem CID: 270941 IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid SMILES: COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC

PubChem CID 270941
CAS 73357-18-3
Molecular Weight (g/mol) 241.199
MDL Number MFCD00118466
SMILES COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC
Synonym 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450
IUPAC Name 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
InChI Key WJPMJFUEMVXUCV-UHFFFAOYSA-N
Molecular Formula C10H11NO6
13

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
14

5-Nitrovanillin, 97%

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

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
15

4-Methoxy-3-nitrobenzonitrile, 97%, Thermo Scientific™

CAS: 33224-23-6 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.15 MDL Number: MFCD00221439 InChI Key: ACAYRJJVKPMSIS-UHFFFAOYSA-N PubChem CID: 2800241 IUPAC Name: 4-methoxy-3-nitrobenzonitrile SMILES: COC1=C(C=C(C=C1)C#N)[N+]([O-])=O

PubChem CID 2800241
CAS 33224-23-6
Molecular Weight (g/mol) 178.15
MDL Number MFCD00221439
SMILES COC1=C(C=C(C=C1)C#N)[N+]([O-])=O
IUPAC Name 4-methoxy-3-nitrobenzonitrile
InChI Key ACAYRJJVKPMSIS-UHFFFAOYSA-N
Molecular Formula C8H6N2O3