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Organic oxoazanium compounds

Organic compounds that contain or are associated with an oxoazanium ion; oxoazanium ions have an oxygen atom bonded to a nitrogen atom via a double bond, and the nitrogen atom is bonded to two hydrogen atoms.
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4-Chloro-3-nitrobenzonitrile, 98%

CAS: 939-80-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00016987 InChI Key: XBLPHYSLHRGMNW-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile PubChem CID: 13655 IUPAC Name: 4-chloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

PubChem CID 13655
CAS 939-80-0
Molecular Weight (g/mol) 182.563
MDL Number MFCD00016987
SMILES C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
Synonym 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile
IUPAC Name 4-chloro-3-nitrobenzonitrile
InChI Key XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
2
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2-Nitrobenzonitrile, 98+%

CAS: 612-24-8 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007044 InChI Key: SWBDKCMOLSUXRH-UHFFFAOYSA-N Synonym: o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile PubChem CID: 11922 IUPAC Name: 2-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=CC=C1C#N

PubChem CID 11922
CAS 612-24-8
Molecular Weight (g/mol) 148.12
MDL Number MFCD00007044
SMILES [O-][N+](=O)C1=CC=CC=C1C#N
Synonym o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile
IUPAC Name 2-nitrobenzonitrile
InChI Key SWBDKCMOLSUXRH-UHFFFAOYSA-N
Molecular Formula C7H4N2O2
3
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4-Nitrophenylacetic acid, 98%

CAS: 104-03-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007383 InChI Key: YBADLXQNJCMBKR-UHFFFAOYSA-N Synonym: 4-nitrophenylacetic acid,2-4-nitrophenyl acetic acid,p-nitrophenylacetic acid,4-nitrophenyl acetic acid,4-nitrobenzeneacetic acid,benzeneacetic acid, 4-nitro,2-p-nitrophenyl acetic acid,4-nitrophenylacetate,4-nitrophenylaceticacid,acetic acid, p-nitrophenyl PubChem CID: 4661 ChEBI: CHEBI:40443 SMILES: C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]

PubChem CID 4661
CAS 104-03-0
Molecular Weight (g/mol) 181.147
ChEBI CHEBI:40443
MDL Number MFCD00007383
SMILES C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]
Synonym 4-nitrophenylacetic acid,2-4-nitrophenyl acetic acid,p-nitrophenylacetic acid,4-nitrophenyl acetic acid,4-nitrobenzeneacetic acid,benzeneacetic acid, 4-nitro,2-p-nitrophenyl acetic acid,4-nitrophenylacetate,4-nitrophenylaceticacid,acetic acid, p-nitrophenyl
InChI Key YBADLXQNJCMBKR-UHFFFAOYSA-N
Molecular Formula C8H7NO4
4
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Nitrobenzene, 99%

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.111 MDL Number: MFCD00007043 InChI Key: LQNUZADURLCDLV-UHFFFAOYSA-N Synonym: nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene PubChem CID: 7416 ChEBI: CHEBI:27798 IUPAC Name: nitrobenzene SMILES: C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7416
CAS 98-95-3
Molecular Weight (g/mol) 123.111
ChEBI CHEBI:27798
MDL Number MFCD00007043
SMILES C1=CC=C(C=C1)[N+](=O)[O-]
Synonym nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene
IUPAC Name nitrobenzene
InChI Key LQNUZADURLCDLV-UHFFFAOYSA-N
Molecular Formula C6H5NO2
5
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1,3-Difluoro-2-nitrobenzene, 98%

CAS: 19064-24-5 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.092 MDL Number: MFCD00192035 InChI Key: SSNCMIDZGFCTST-UHFFFAOYSA-N Synonym: 2,6-difluoronitrobenzene,1,3-difluoro-2-nitro-benzene,benzene, 1,3-difluoro-2-nitro,2,6-difluoro nitrobenzene,pubchem4403,1,3-difluoronitrobenzene,acmc-1buv1,2,6-difluoro-nitrobenzene,2,6-difluoro nitro benzene,1,3-difluoro-2-nitrobenzen PubChem CID: 87922 IUPAC Name: 1,3-difluoro-2-nitrobenzene SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

PubChem CID 87922
CAS 19064-24-5
Molecular Weight (g/mol) 159.092
MDL Number MFCD00192035
SMILES C1=CC(=C(C(=C1)F)[N+](=O)[O-])F
Synonym 2,6-difluoronitrobenzene,1,3-difluoro-2-nitro-benzene,benzene, 1,3-difluoro-2-nitro,2,6-difluoro nitrobenzene,pubchem4403,1,3-difluoronitrobenzene,acmc-1buv1,2,6-difluoro-nitrobenzene,2,6-difluoro nitro benzene,1,3-difluoro-2-nitrobenzen
IUPAC Name 1,3-difluoro-2-nitrobenzene
InChI Key SSNCMIDZGFCTST-UHFFFAOYSA-N
Molecular Formula C6H3F2NO2
6

Nitrobenzene, 99+%, ACS reagent

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00007043 InChI Key: LQNUZADURLCDLV-UHFFFAOYSA-N Synonym: nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene PubChem CID: 7416 ChEBI: CHEBI:27798 IUPAC Name: nitrobenzene SMILES: C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7416
CAS 98-95-3
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:27798
MDL Number MFCD00007043
SMILES C1=CC=C(C=C1)[N+](=O)[O-]
Synonym nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene
IUPAC Name nitrobenzene
InChI Key LQNUZADURLCDLV-UHFFFAOYSA-N
Molecular Formula C6H5NO2
7
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1-Fluoro-3-nitrobenzene, 98+%

CAS: 402-67-5 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD00007196 InChI Key: WMASLRCNNKMRFP-UHFFFAOYSA-N Synonym: 3-fluoronitrobenzene,m-fluoronitrobenzene,m-nitrofluorobenzene,benzene, 1-fluoro-3-nitro,3-fluoro-1-nitrobenzene,1-fluoro-3-nitro-benzene,3-fluoro-nitrobenzene,3-nitro-fluorobenzene,pubchem2286,3-fluoro nitro benzene PubChem CID: 9823 IUPAC Name: 1-fluoro-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(F)=C1

PubChem CID 9823
CAS 402-67-5
Molecular Weight (g/mol) 141.10
MDL Number MFCD00007196
SMILES [O-][N+](=O)C1=CC=CC(F)=C1
Synonym 3-fluoronitrobenzene,m-fluoronitrobenzene,m-nitrofluorobenzene,benzene, 1-fluoro-3-nitro,3-fluoro-1-nitrobenzene,1-fluoro-3-nitro-benzene,3-fluoro-nitrobenzene,3-nitro-fluorobenzene,pubchem2286,3-fluoro nitro benzene
IUPAC Name 1-fluoro-3-nitrobenzene
InChI Key WMASLRCNNKMRFP-UHFFFAOYSA-N
Molecular Formula C6H4FNO2
8
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2,4-Difluoro-1-nitrobenzene, 98%

CAS: 446-35-5 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.09 MDL Number: MFCD00007050 InChI Key: RJXOVESYJFXCGI-UHFFFAOYSA-N Synonym: 2,4-difluoronitrobenzene,benzene, 2,4-difluoro-1-nitro,1-nitro-2,4-difluorobenzene,1,3-difluoro-4-nitrobenzene,unii-6398y1d7js,2,4-difluoro-1-nitro-benzene,pubchem2288,2,4-difluornitrobenzol,2,4-difluoronitrobenzol,acmc-1akft PubChem CID: 67967 IUPAC Name: 2,4-difluoro-1-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(F)C=C1F

PubChem CID 67967
CAS 446-35-5
Molecular Weight (g/mol) 159.09
MDL Number MFCD00007050
SMILES [O-][N+](=O)C1=CC=C(F)C=C1F
Synonym 2,4-difluoronitrobenzene,benzene, 2,4-difluoro-1-nitro,1-nitro-2,4-difluorobenzene,1,3-difluoro-4-nitrobenzene,unii-6398y1d7js,2,4-difluoro-1-nitro-benzene,pubchem2288,2,4-difluornitrobenzol,2,4-difluoronitrobenzol,acmc-1akft
IUPAC Name 2,4-difluoro-1-nitrobenzene
InChI Key RJXOVESYJFXCGI-UHFFFAOYSA-N
Molecular Formula C6H3F2NO2
9

Sigma Aldrich 1-Bromo-2-nitrobenzene

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 261°C (lit.)
Percent Purity 98%
Linear Formula BrC6H4NO2
CAS 577-19-5
Molecular Weight (g/mol) 202.01
MDL Number MFCD00007045
RTECS Number CY9040450
Recommended Storage 2°C to 8°C
Molecular Formula C6H4BrNO2
EINECS Number 209-409-0
Melting Point 40°C to 42°C (lit.)
10

Sigma Aldrich 2,4,6-Trifluoronitrobenzene

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 315-14-0
11

1,3-Dinitrobenzene 98%, Thermo Scientific™

CAS: 99-65-0 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.108 InChI Key: WDCYWAQPCXBPJA-UHFFFAOYSA-N Synonym: m-dinitrobenzene,2,4-dinitrobenzene,benzene, 1,3-dinitro,meta-dinitrobenzene,1,3-dinitrobenzol,dinitrobenzene,benzene, m-dinitro,dwunitrobenzen,m-dnb,dinitrophenylene PubChem CID: 7452 ChEBI: CHEBI:51397 IUPAC Name: 1,3-dinitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 7452
CAS 99-65-0
Molecular Weight (g/mol) 168.108
ChEBI CHEBI:51397
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Synonym m-dinitrobenzene,2,4-dinitrobenzene,benzene, 1,3-dinitro,meta-dinitrobenzene,1,3-dinitrobenzol,dinitrobenzene,benzene, m-dinitro,dwunitrobenzen,m-dnb,dinitrophenylene
IUPAC Name 1,3-dinitrobenzene
InChI Key WDCYWAQPCXBPJA-UHFFFAOYSA-N
Molecular Formula C6H4N2O4