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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 18 results
1

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
2

N-(3-Hydroxyphenyl)thiourea, 97%

CAS: 3394-05-6 MDL Number: MFCD00022167

CAS 3394-05-6
MDL Number MFCD00022167
3

3-Iodo-4-nitroanisole, 97%

CAS: 214279-40-0 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.03 MDL Number: MFCD01320682 InChI Key: NLTAHTYBZZSCIT-UHFFFAOYSA-N Synonym: 3-iodo-4-nitroanisole,4-nitro-3-iodoanisole,benzene, 2-iodo-4-methoxy-1-nitro,1-nitro-2-iodo-4-methoxybenzene,3-iodo-4-nitrophenyl methyl ether,benzene,2-iodo-4-methoxy-1-nitro PubChem CID: 2733456 IUPAC Name: 2-iodo-4-methoxy-1-nitrobenzene SMILES: COC1=CC=C(C(I)=C1)[N+]([O-])=O

PubChem CID 2733456
CAS 214279-40-0
Molecular Weight (g/mol) 279.03
MDL Number MFCD01320682
SMILES COC1=CC=C(C(I)=C1)[N+]([O-])=O
Synonym 3-iodo-4-nitroanisole,4-nitro-3-iodoanisole,benzene, 2-iodo-4-methoxy-1-nitro,1-nitro-2-iodo-4-methoxybenzene,3-iodo-4-nitrophenyl methyl ether,benzene,2-iodo-4-methoxy-1-nitro
IUPAC Name 2-iodo-4-methoxy-1-nitrobenzene
InChI Key NLTAHTYBZZSCIT-UHFFFAOYSA-N
Molecular Formula C7H6INO3
4

2-Chloro-5-nitrobenzaldehyde, 97%

CAS: 6361-21-3 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007293 InChI Key: VFVHWCKUHAEDMY-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 PubChem CID: 72933 IUPAC Name: 2-chloro-5-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1

PubChem CID 72933
CAS 6361-21-3
Molecular Weight (g/mol) 185.56
MDL Number MFCD00007293
SMILES [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1
Synonym benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046
IUPAC Name 2-chloro-5-nitrobenzaldehyde
InChI Key VFVHWCKUHAEDMY-UHFFFAOYSA-N
Molecular Formula C7H4ClNO3
5

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
6

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
7

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
8

4-Iodo-3-nitroanisole, 98+%

CAS: 58755-70-7 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD00024195 InChI Key: JWZODIRSJJQOKY-UHFFFAOYSA-N Synonym: 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 PubChem CID: 292659 IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]

PubChem CID 292659
CAS 58755-70-7
Molecular Weight (g/mol) 279.033
MDL Number MFCD00024195
SMILES COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Synonym 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569
IUPAC Name 1-iodo-4-methoxy-2-nitrobenzene
InChI Key JWZODIRSJJQOKY-UHFFFAOYSA-N
Molecular Formula C7H6INO3
9

4-Bromo-3-nitroanisole, 96%

CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O

PubChem CID 79288
CAS 5344-78-5
Molecular Weight (g/mol) 232.03
MDL Number MFCD00051511
SMILES COC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655
IUPAC Name 1-bromo-4-methoxy-2-nitrobenzene
InChI Key KCOBIBRGPCFIGF-UHFFFAOYSA-N
Molecular Formula C7H6BrNO3
10

1,2-Dimethoxy-4,5-dinitrobenzene, 96%

CAS: 3395-03-7 MDL Number: MFCD00082695

CAS 3395-03-7
MDL Number MFCD00082695
11

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
12

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
13
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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
14

2-Fluoro-5-(2-methoxy-4-nitrophenylcarbamoyl)benzeneboronic acid, 97%, Thermo Scientific™

CAS: 1449144-38-0 Molecular Formula: C14H12BFN2O6 Molecular Weight (g/mol): 334.07 MDL Number: MFCD20265209 InChI Key: BYDYGPUXHRRBSV-UHFFFAOYSA-N Synonym: 2-fluoro-5-2-methoxy-4-nitrophenylcarbamoyl benzeneboronic acid,2-fluoro-5-2-methoxy-4-nitrophenyl carbamoyl phenylboronic acid PubChem CID: 73995700 IUPAC Name: [2-fluoro-5-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl]boronic acid SMILES: COC1=C(NC(=O)C2=CC(B(O)O)=C(F)C=C2)C=CC(=C1)[N+]([O-])=O

PubChem CID 73995700
CAS 1449144-38-0
Molecular Weight (g/mol) 334.07
MDL Number MFCD20265209
SMILES COC1=C(NC(=O)C2=CC(B(O)O)=C(F)C=C2)C=CC(=C1)[N+]([O-])=O
Synonym 2-fluoro-5-2-methoxy-4-nitrophenylcarbamoyl benzeneboronic acid,2-fluoro-5-2-methoxy-4-nitrophenyl carbamoyl phenylboronic acid
IUPAC Name [2-fluoro-5-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl]boronic acid
InChI Key BYDYGPUXHRRBSV-UHFFFAOYSA-N
Molecular Formula C14H12BFN2O6
15

1-Nitro-4-(trifluoromethoxy)benzene, 98+%, Thermo Scientific™

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

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