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-Nitrophthalonitrile, 97%

CAS: 31643-49-9 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00040301 InChI Key: NTZMSBAAHBICLE-UHFFFAOYSA-N Synonym: 4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile PubChem CID: 97443 IUPAC Name: 4-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N

Pricing and Availability
Specifications

PubChem CID	97443
CAS	31643-49-9
Molecular Weight (g/mol)	173.13
MDL Number	MFCD00040301
SMILES	[O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N
Synonym	4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile
IUPAC Name	4-nitrobenzene-1,2-dicarbonitrile
InChI Key	NTZMSBAAHBICLE-UHFFFAOYSA-N
Molecular Formula	C8H3N3O2

1,2-Difluoro-4-nitrobenzene, 98+%

CAS: 369-34-6 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.092 MDL Number: MFCD00007198 InChI Key: RUBQQRMAWLSCCJ-UHFFFAOYSA-N Synonym: 3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene PubChem CID: 123053 IUPAC Name: 1,2-difluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)F

Pricing and Availability
Specifications

PubChem CID	123053
CAS	369-34-6
Molecular Weight (g/mol)	159.092
MDL Number	MFCD00007198
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym	3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene
IUPAC Name	1,2-difluoro-4-nitrobenzene
InChI Key	RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Molecular Formula	C6H3F2NO2

6-Nitroindole, 97%

CAS: 4769-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00051497 InChI Key: PSWCIARYGITEOY-UHFFFAOYSA-N Synonym: 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p PubChem CID: 78502 IUPAC Name: 6-nitro-1H-indole SMILES: [O-][N+](=O)C1=CC=C2C=CNC2=C1

Pricing and Availability
Specifications

PubChem CID	78502
CAS	4769-96-4
Molecular Weight (g/mol)	162.15
MDL Number	MFCD00051497
SMILES	[O-][N+](=O)C1=CC=C2C=CNC2=C1
Synonym	6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p
IUPAC Name	6-nitro-1H-indole
InChI Key	PSWCIARYGITEOY-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

4-Nitrobenzonitrile, 97%

CAS: 619-72-7 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007279 InChI Key: NKJIFDNZPGLLSH-UHFFFAOYSA-N Synonym: benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril PubChem CID: 12090 IUPAC Name: 4-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(C=C1)C#N

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Specifications

PubChem CID	12090
CAS	619-72-7
Molecular Weight (g/mol)	148.12
MDL Number	MFCD00007279
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C#N
Synonym	benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril
IUPAC Name	4-nitrobenzonitrile
InChI Key	NKJIFDNZPGLLSH-UHFFFAOYSA-N
Molecular Formula	C7H4N2O2

4-(4-Nitrobenzyl)pyridine, 98%

CAS: 1083-48-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00006445 InChI Key: MNHKUCBXXMFQDM-UHFFFAOYSA-N Synonym: 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine PubChem CID: 14129 IUPAC Name: 4-[(4-nitrophenyl)methyl]pyridine SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1

Pricing and Availability
Specifications

PubChem CID	14129
CAS	1083-48-3
Molecular Weight (g/mol)	214.22
MDL Number	MFCD00006445
SMILES	[O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1
Synonym	4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine
IUPAC Name	4-[(4-nitrophenyl)methyl]pyridine
InChI Key	MNHKUCBXXMFQDM-UHFFFAOYSA-N
Molecular Formula	C12H10N2O2

4-Nitrophenylacetic acid, 99%

CAS: 104-03-0 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 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-]

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Specifications

PubChem CID	4661
CAS	104-03-0
Molecular Weight (g/mol)	181.15
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

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-]

Pricing and Availability
Specifications

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

1-Fluoro-2-nitrobenzene, 99%

CAS: 1493-27-2 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.101 MDL Number: MFCD00007048 InChI Key: PWKNBLFSJAVFAB-UHFFFAOYSA-N Synonym: 2-fluoronitrobenzene,o-fluoronitrobenzene,o-nitrofluorobenzene,2-nitrofluorobenzene,benzene, 1-fluoro-2-nitro,benzene, o-nitrofluoro,2-fluoro-1-nitrobenzene,fluoronitrobenzene,1-fluoro-2-nitro-benzene,benzene, fluoronitro PubChem CID: 73895 IUPAC Name: 1-fluoro-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])F

Pricing and Availability
Specifications

PubChem CID	73895
CAS	1493-27-2
Molecular Weight (g/mol)	141.101
MDL Number	MFCD00007048
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])F
Synonym	2-fluoronitrobenzene,o-fluoronitrobenzene,o-nitrofluorobenzene,2-nitrofluorobenzene,benzene, 1-fluoro-2-nitro,benzene, o-nitrofluoro,2-fluoro-1-nitrobenzene,fluoronitrobenzene,1-fluoro-2-nitro-benzene,benzene, fluoronitro
IUPAC Name	1-fluoro-2-nitrobenzene
InChI Key	PWKNBLFSJAVFAB-UHFFFAOYSA-N
Molecular Formula	C6H4FNO2

2-Nitrobenzonitrile, 98%, Thermo Scientific Chemicals

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

Pricing and Availability
Specifications

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

1,4-Dichloro-2-nitrobenzene, 98%

CAS: 89-61-2 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD00007074 InChI Key: RZKKOBGFCAHLCZ-UHFFFAOYSA-N Synonym: 2,5-dichloronitrobenzene,nitro-p-dichlorobenzene,benzene, 1,4-dichloro-2-nitro,1-nitro-2,5-dichlorobenzene,2,5-dichlornitrobenzen,2,5-dichloro-1-nitrobenzene,benzene, 2,5-dichloronitro,2,5-dichloronitrobenzol,unii-iy18g50ff4,ccris 3096 PubChem CID: 6977 IUPAC Name: 1,4-dichloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=CC=C1Cl

Pricing and Availability
Specifications

PubChem CID	6977
CAS	89-61-2
Molecular Weight (g/mol)	192.00
MDL Number	MFCD00007074
SMILES	[O-][N+](=O)C1=CC(Cl)=CC=C1Cl
Synonym	2,5-dichloronitrobenzene,nitro-p-dichlorobenzene,benzene, 1,4-dichloro-2-nitro,1-nitro-2,5-dichlorobenzene,2,5-dichlornitrobenzen,2,5-dichloro-1-nitrobenzene,benzene, 2,5-dichloronitro,2,5-dichloronitrobenzol,unii-iy18g50ff4,ccris 3096
IUPAC Name	1,4-dichloro-2-nitrobenzene
InChI Key	RZKKOBGFCAHLCZ-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2NO2

2-Nitrobenzenesulfenyl chloride, 98%

CAS: 7669-54-7 Molecular Formula: C₆H₄ClNO₂S Molecular Weight (g/mol): 189.62 MDL Number: MFCD00007128 InChI Key: NTNKNFHIAFDCSJ-UHFFFAOYSA-N Synonym: 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane PubChem CID: 24319 IUPAC Name: (2-nitrophenyl) thiohypochlorite SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCl

Pricing and Availability
Specifications

PubChem CID	24319
CAS	7669-54-7
Molecular Weight (g/mol)	189.62
MDL Number	MFCD00007128
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])SCl
Synonym	2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane
IUPAC Name	(2-nitrophenyl) thiohypochlorite
InChI Key	NTNKNFHIAFDCSJ-UHFFFAOYSA-N
Molecular Formula	C₆H₄ClNO₂S

3-Nitropyridine, 98%

CAS: 2530-26-9 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00234974 InChI Key: QLILRKBRWXALIE-UHFFFAOYSA-N Synonym: 5-nitropyridine,pyridine, 3-nitro,3-nitro-pyridine,pyridine,3-nitro,pubchem6646,acmc-1cb5f PubChem CID: 137630 IUPAC Name: 3-nitropyridine SMILES: [O-][N+](=O)C1=CC=CN=C1

Pricing and Availability
Specifications

PubChem CID	137630
CAS	2530-26-9
Molecular Weight (g/mol)	124.10
MDL Number	MFCD00234974
SMILES	[O-][N+](=O)C1=CC=CN=C1
Synonym	5-nitropyridine,pyridine, 3-nitro,3-nitro-pyridine,pyridine,3-nitro,pubchem6646,acmc-1cb5f
IUPAC Name	3-nitropyridine
InChI Key	QLILRKBRWXALIE-UHFFFAOYSA-N
Molecular Formula	C5H4N2O2

Nitromethane, 99+%, for analysis

CAS: 75-52-5 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 61.04 MDL Number: MFCD00007400 InChI Key: LYGJENNIWJXYER-UHFFFAOYSA-N Synonym: methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4 PubChem CID: 6375 ChEBI: CHEBI:77701 IUPAC Name: nitromethane SMILES: C[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	6375
CAS	75-52-5
Molecular Weight (g/mol)	61.04
ChEBI	CHEBI:77701
MDL Number	MFCD00007400
SMILES	C[N+]([O-])=O
Synonym	methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4
IUPAC Name	nitromethane
InChI Key	LYGJENNIWJXYER-UHFFFAOYSA-N
Molecular Formula	CH3NO2

3-Nitrobenzonitrile, 98%

CAS: 619-24-9 Molecular Formula: C₇H₄N₂O₂ Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007194 InChI Key: RUSAWEHOGCWOPG-UHFFFAOYSA-N Synonym: benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril PubChem CID: 12079 IUPAC Name: 3-nitrobenzonitrile SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C#N

Pricing and Availability
Specifications

PubChem CID	12079
CAS	619-24-9
Molecular Weight (g/mol)	148.12
MDL Number	MFCD00007194
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C#N
Synonym	benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril
IUPAC Name	3-nitrobenzonitrile
InChI Key	RUSAWEHOGCWOPG-UHFFFAOYSA-N
Molecular Formula	C₇H₄N₂O₂

4-Fluoro-3-nitrobenzonitrile, 97%

CAS: 1009-35-4 Molecular Formula: C7H3FN2O2 Molecular Weight (g/mol): 166.111 MDL Number: MFCD01632197 InChI Key: LKOWKPGBAZVHOF-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzonitrile,4-fluoro-3-nitro-benzonitrile,5-cyano-2-fluoronitrobenzene,4-cyano-1-fluoro-2-nitrobenzene,benzonitrile, 4-fluoro-3-nitro,4-fluoro-3-nitrobenzenecarbonitrile,5-cyano-5-fluoro-1-nitrobenzene,pubchem4796,acmc-1c2vd,4-fluro-3-nitrobenzonitrile PubChem CID: 2774654 IUPAC Name: 4-fluoro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])F

Pricing and Availability
Specifications

PubChem CID	2774654
CAS	1009-35-4
Molecular Weight (g/mol)	166.111
MDL Number	MFCD01632197
SMILES	C1=CC(=C(C=C1C#N)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzonitrile,4-fluoro-3-nitro-benzonitrile,5-cyano-2-fluoronitrobenzene,4-cyano-1-fluoro-2-nitrobenzene,benzonitrile, 4-fluoro-3-nitro,4-fluoro-3-nitrobenzenecarbonitrile,5-cyano-5-fluoro-1-nitrobenzene,pubchem4796,acmc-1c2vd,4-fluro-3-nitrobenzonitrile
IUPAC Name	4-fluoro-3-nitrobenzonitrile
InChI Key	LKOWKPGBAZVHOF-UHFFFAOYSA-N
Molecular Formula	C7H3FN2O2

Organic oxoazanium compounds

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