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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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1

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
2

2-Nitrobenzenesulfenyl chloride, 97%

CAS: 7669-54-7 Molecular Formula: C6H4ClNO2S Molecular Weight (g/mol): 189.613 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

PubChem CID 24319
CAS 7669-54-7
Molecular Weight (g/mol) 189.613
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

2-Chloro-1,3-dinitrobenzene, 98+%

CAS: 606-21-3 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00014689 InChI Key: BPPMIQPXQVIZNJ-UHFFFAOYSA-N Synonym: 2,6-dinitrochlorobenzene,1-chloro-2,6-dinitrobenzene,benzene, 2-chloro-1,3-dinitro,2-chloro-1,3-dintrobenzene,1,3-dinitro-2-chlorobenzene,2-chloro-1,3-dinitro-benzene,unii-lg72rnd0ab,lg72rnd0ab,1-chloro-2,3-dinitrobenzene mixture,ambsclk-136 PubChem CID: 11814 IUPAC Name: 2-chloro-1,3-dinitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1Cl)[N+]([O-])=O

PubChem CID 11814
CAS 606-21-3
Molecular Weight (g/mol) 202.55
MDL Number MFCD00014689
SMILES [O-][N+](=O)C1=CC=CC(=C1Cl)[N+]([O-])=O
Synonym 2,6-dinitrochlorobenzene,1-chloro-2,6-dinitrobenzene,benzene, 2-chloro-1,3-dinitro,2-chloro-1,3-dintrobenzene,1,3-dinitro-2-chlorobenzene,2-chloro-1,3-dinitro-benzene,unii-lg72rnd0ab,lg72rnd0ab,1-chloro-2,3-dinitrobenzene mixture,ambsclk-136
IUPAC Name 2-chloro-1,3-dinitrobenzene
InChI Key BPPMIQPXQVIZNJ-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4
4

2-Chloro-5-nitrobenzonitrile, 99%

CAS: 16588-02-6 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00007292 InChI Key: ZGILLTVEEBNDOB-UHFFFAOYSA-N Synonym: benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril PubChem CID: 85504 IUPAC Name: 2-chloro-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl

PubChem CID 85504
CAS 16588-02-6
Molecular Weight (g/mol) 182.563
MDL Number MFCD00007292
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl
Synonym benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril
IUPAC Name 2-chloro-5-nitrobenzonitrile
InChI Key ZGILLTVEEBNDOB-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
5

2-Chloro-6-nitrobenzonitrile, 98%

CAS: 6575-07-1 MDL Number: MFCD00007203

CAS 6575-07-1
MDL Number MFCD00007203
6

1-Fluoro-2-nitrobenzene, 99%

CAS: 1493-27-2 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.1 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

PubChem CID 73895
CAS 1493-27-2
Molecular Weight (g/mol) 141.1
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
7

4-Fluoro-2-nitrobenzonitrile, 97%

CAS: 80517-21-1 Molecular Formula: C7H3FN2O2 Molecular Weight (g/mol): 166.111 MDL Number: MFCD00277447 InChI Key: MNEAKKQYFSYZEU-UHFFFAOYSA-N Synonym: 2-cyano-5-fluoronitrobenzene,benzonitrile, 4-fluoro-2-nitro,buttpark 100\07-73,pubchem4795,acmc-209pjl,4-fluoro-2-nitrobenzonitrle,ksc497q7l,4-fluoro-2-nitro-benzonitrile,benzonitrile,4-fluoro-2-nitro,4-fluoro-2-nitrobenzenecarbonitrile PubChem CID: 2774652 IUPAC Name: 4-fluoro-2-nitrobenzonitrile SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C#N

PubChem CID 2774652
CAS 80517-21-1
Molecular Weight (g/mol) 166.111
MDL Number MFCD00277447
SMILES C1=CC(=C(C=C1F)[N+](=O)[O-])C#N
Synonym 2-cyano-5-fluoronitrobenzene,benzonitrile, 4-fluoro-2-nitro,buttpark 100\07-73,pubchem4795,acmc-209pjl,4-fluoro-2-nitrobenzonitrle,ksc497q7l,4-fluoro-2-nitro-benzonitrile,benzonitrile,4-fluoro-2-nitro,4-fluoro-2-nitrobenzenecarbonitrile
IUPAC Name 4-fluoro-2-nitrobenzonitrile
InChI Key MNEAKKQYFSYZEU-UHFFFAOYSA-N
Molecular Formula C7H3FN2O2
8

1-Chloro-2-nitrobenzene, 99%

CAS: 88-73-3 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.55 MDL Number: MFCD00007061 InChI Key: BFCFYVKQTRLZHA-UHFFFAOYSA-N Synonym: 2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene PubChem CID: 6945 ChEBI: CHEBI:34270 IUPAC Name: 1-chloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1Cl

PubChem CID 6945
CAS 88-73-3
Molecular Weight (g/mol) 157.55
ChEBI CHEBI:34270
MDL Number MFCD00007061
SMILES [O-][N+](=O)C1=CC=CC=C1Cl
Synonym 2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene
IUPAC Name 1-chloro-2-nitrobenzene
InChI Key BFCFYVKQTRLZHA-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2
9

2-Nitrophenylacetic acid, 99%

CAS: 3740-52-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007190 InChI Key: WMUZDBZPDLHUMW-UHFFFAOYSA-N Synonym: 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38 PubChem CID: 77337 IUPAC Name: 2-(2-nitrophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC=C1[N+]([O-])=O

PubChem CID 77337
CAS 3740-52-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007190
SMILES OC(=O)CC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38
IUPAC Name 2-(2-nitrophenyl)acetic acid
InChI Key WMUZDBZPDLHUMW-UHFFFAOYSA-N
Molecular Formula C8H7NO4
10

2-Nitrophenylacetic acid, 99%

CAS: 3740-52-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007190 InChI Key: WMUZDBZPDLHUMW-UHFFFAOYSA-N Synonym: 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38 PubChem CID: 77337 IUPAC Name: 2-(2-nitrophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC=C1[N+]([O-])=O

PubChem CID 77337
CAS 3740-52-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007190
SMILES OC(=O)CC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38
IUPAC Name 2-(2-nitrophenyl)acetic acid
InChI Key WMUZDBZPDLHUMW-UHFFFAOYSA-N
Molecular Formula C8H7NO4
11

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

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
12

2-Fluoro-5-nitrobenzonitrile, 98+%

CAS: 17417-09-3 Molecular Formula: C7H3FN2O2 Molecular Weight (g/mol): 166.11 MDL Number: MFCD00042299 InChI Key: YLACBMHBZVYOAP-UHFFFAOYSA-N Synonym: benzonitrile, 2-fluoro-5-nitro,3-cyano-4-fluoronitrobenzene,2-fluoro-5-nitro-benzonitrile,2-fluoro-5-nitrobenzenecarbonitrile,2-fluoro-5-nitrobenzenenitrile,3-cyano-4-fluoro-1-nitrobenzene,pubchem4792,intermediates-zcf02297,acmc-209e7w,5-nitro-2-fluorobenzonitrile PubChem CID: 519417 IUPAC Name: 2-fluoro-5-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(F)C(=C1)C#N

PubChem CID 519417
CAS 17417-09-3
Molecular Weight (g/mol) 166.11
MDL Number MFCD00042299
SMILES [O-][N+](=O)C1=CC=C(F)C(=C1)C#N
Synonym benzonitrile, 2-fluoro-5-nitro,3-cyano-4-fluoronitrobenzene,2-fluoro-5-nitro-benzonitrile,2-fluoro-5-nitrobenzenecarbonitrile,2-fluoro-5-nitrobenzenenitrile,3-cyano-4-fluoro-1-nitrobenzene,pubchem4792,intermediates-zcf02297,acmc-209e7w,5-nitro-2-fluorobenzonitrile
IUPAC Name 2-fluoro-5-nitrobenzonitrile
InChI Key YLACBMHBZVYOAP-UHFFFAOYSA-N
Molecular Formula C7H3FN2O2
13

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

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
14

1,3,5-Trichloro-2-nitrobenzene, 98+%

CAS: 18708-70-8 Molecular Formula: C6H2Cl3NO2 Molecular Weight (g/mol): 226.437 MDL Number: MFCD00014690 InChI Key: AEBJDOTVYMITIA-UHFFFAOYSA-N PubChem CID: 29228 IUPAC Name: 1,3,5-trichloro-2-nitrobenzene SMILES: C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl

PubChem CID 29228
CAS 18708-70-8
Molecular Weight (g/mol) 226.437
MDL Number MFCD00014690
SMILES C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl
IUPAC Name 1,3,5-trichloro-2-nitrobenzene
InChI Key AEBJDOTVYMITIA-UHFFFAOYSA-N
Molecular Formula C6H2Cl3NO2
15

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

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