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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 – 15 of 224 results
1

3-Nitrophthalonitrile, 99%

CAS: 51762-67-5 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00191558 InChI Key: UZJZIZFCQFZDHP-UHFFFAOYSA-N Synonym: 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo PubChem CID: 162652 IUPAC Name: 3-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=CC(C#N)=C1C#N

PubChem CID 162652
CAS 51762-67-5
Molecular Weight (g/mol) 173.13
MDL Number MFCD00191558
SMILES [O-][N+](=O)C1=CC=CC(C#N)=C1C#N
Synonym 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo
IUPAC Name 3-nitrobenzene-1,2-dicarbonitrile
InChI Key UZJZIZFCQFZDHP-UHFFFAOYSA-N
Molecular Formula C8H3N3O2
2

Ethyl 4-nitrophenylacetate, 98%

CAS: 5445-26-1 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.20 MDL Number: MFCD00017046 InChI Key: DWDRNKYLWMKWTH-UHFFFAOYSA-N Synonym: ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester PubChem CID: 79517 IUPAC Name: ethyl 2-(4-nitrophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 79517
CAS 5445-26-1
Molecular Weight (g/mol) 209.20
MDL Number MFCD00017046
SMILES CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Synonym ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester
IUPAC Name ethyl 2-(4-nitrophenyl)acetate
InChI Key DWDRNKYLWMKWTH-UHFFFAOYSA-N
Molecular Formula C10H11NO4
3

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
4

tert-Nitrobutane, 98+%

CAS: 594-70-7 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00007393 InChI Key: AIMREYQYBFBEGQ-UHFFFAOYSA-N Synonym: propane, 2-methyl-2-nitro,trimethylnitromethane,2-nitroisobutane,2-nitro-2-methylpropane,tert-nitrobutane,1,1-dimethyl-1-nitroethane,nitro-tert-butane,2-methyl-2-nitro-propane,unii-9dkh5l679z,ccris 5044 PubChem CID: 11672 IUPAC Name: 2-methyl-2-nitropropane SMILES: CC(C)(C)[N+](=O)[O-]

PubChem CID 11672
CAS 594-70-7
Molecular Weight (g/mol) 103.121
MDL Number MFCD00007393
SMILES CC(C)(C)[N+](=O)[O-]
Synonym propane, 2-methyl-2-nitro,trimethylnitromethane,2-nitroisobutane,2-nitro-2-methylpropane,tert-nitrobutane,1,1-dimethyl-1-nitroethane,nitro-tert-butane,2-methyl-2-nitro-propane,unii-9dkh5l679z,ccris 5044
IUPAC Name 2-methyl-2-nitropropane
InChI Key AIMREYQYBFBEGQ-UHFFFAOYSA-N
Molecular Formula C4H9NO2
5

Ethyl 6-nitroindole-2-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 16792-45-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD04973967 InChI Key: SOMZLSPJSSDTAP-UHFFFAOYSA-N Synonym: ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester PubChem CID: 616444 IUPAC Name: ethyl 6-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O

PubChem CID 616444
CAS 16792-45-3
Molecular Weight (g/mol) 234.21
MDL Number MFCD04973967
SMILES CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O
Synonym ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester
IUPAC Name ethyl 6-nitro-1H-indole-2-carboxylate
InChI Key SOMZLSPJSSDTAP-UHFFFAOYSA-N
Molecular Formula C11H10N2O4
6

5-Nitroindole, 99%

CAS: 6146-52-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005673 InChI Key: OZFPSOBLQZPIAV-UHFFFAOYSA-N Synonym: 5-nitroindole,1h-indole, 5-nitro,indole, 5-nitro,unii-o2bhx6edbn,5-nitro indole,ccris 3255,o2bhx6edbn,pubchem1711,acmc-209msr PubChem CID: 22523 IUPAC Name: 5-nitro-1H-indole SMILES: C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]

PubChem CID 22523
CAS 6146-52-7
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005673
SMILES C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]
Synonym 5-nitroindole,1h-indole, 5-nitro,indole, 5-nitro,unii-o2bhx6edbn,5-nitro indole,ccris 3255,o2bhx6edbn,pubchem1711,acmc-209msr
IUPAC Name 5-nitro-1H-indole
InChI Key OZFPSOBLQZPIAV-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
7

2,4-Dinitrofluorobenzene, 98%

CAS: 70-34-8 Molecular Formula: C6H3FN2O4 Molecular Weight (g/mol): 186.1 MDL Number: MFCD00007056 InChI Key: LOTKRQAVGJMPNV-UHFFFAOYSA-N Synonym: 2,4-dinitrofluorobenzene,dinitrofluorobenzene,fdnb,dnfb,2,4-dinitro-1-fluorobenzene,sanger's reagent,fluoro-2,4-dinitrobenzene,2,4-dinitrobenzenefluoride,2,4-dinitrophenyl fluoride,fluorodinitrobenzene PubChem CID: 6264 ChEBI: CHEBI:53049 IUPAC Name: 1-fluoro-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

PubChem CID 6264
CAS 70-34-8
Molecular Weight (g/mol) 186.1
ChEBI CHEBI:53049
MDL Number MFCD00007056
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Synonym 2,4-dinitrofluorobenzene,dinitrofluorobenzene,fdnb,dnfb,2,4-dinitro-1-fluorobenzene,sanger's reagent,fluoro-2,4-dinitrobenzene,2,4-dinitrobenzenefluoride,2,4-dinitrophenyl fluoride,fluorodinitrobenzene
IUPAC Name 1-fluoro-2,4-dinitrobenzene
InChI Key LOTKRQAVGJMPNV-UHFFFAOYSA-N
Molecular Formula C6H3FN2O4
8

1-Fluoro-4-nitrobenzene, 99%

CAS: 350-46-9 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.1 MDL Number: MFCD00007282 InChI Key: WFQDTOYDVUWQMS-UHFFFAOYSA-N Synonym: 4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene PubChem CID: 9590 IUPAC Name: 1-fluoro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])F

PubChem CID 9590
CAS 350-46-9
Molecular Weight (g/mol) 141.1
MDL Number MFCD00007282
SMILES C1=CC(=CC=C1[N+](=O)[O-])F
Synonym 4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene
IUPAC Name 1-fluoro-4-nitrobenzene
InChI Key WFQDTOYDVUWQMS-UHFFFAOYSA-N
Molecular Formula C6H4FNO2
9

1-Chloro-3,4-dinitrobenzene, tech. 90%

CAS: 610-40-2 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007212 InChI Key: QVQSOXMXXFZAKU-UHFFFAOYSA-N Synonym: 1-chloro-3,4-dinitrobenzene,3,4-dinitrochlorobenzene,benzene, 4-chloro-1,2-dinitro,unii-z29b1f274e,1,2-dinitro-4-chlorobenzene,1,2-dino2 4-cl benzene,4-chlordinitrobenzol,acmc-209mog,4-chloro-1,2-dinitrobenzen,ghl.pd_mitscher_leg0.928 PubChem CID: 33097 IUPAC Name: 4-chloro-1,2-dinitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 33097
CAS 610-40-2
Molecular Weight (g/mol) 202.55
MDL Number MFCD00007212
SMILES C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]
Synonym 1-chloro-3,4-dinitrobenzene,3,4-dinitrochlorobenzene,benzene, 4-chloro-1,2-dinitro,unii-z29b1f274e,1,2-dinitro-4-chlorobenzene,1,2-dino2 4-cl benzene,4-chlordinitrobenzol,acmc-209mog,4-chloro-1,2-dinitrobenzen,ghl.pd_mitscher_leg0.928
IUPAC Name 4-chloro-1,2-dinitrobenzene
InChI Key QVQSOXMXXFZAKU-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4
10

1-Fluoro-2,4-dinitrobenzene, 99%

CAS: 70-34-8 Molecular Formula: C6H3FN2O4 Molecular Weight (g/mol): 186.098 MDL Number: MFCD00007056 InChI Key: LOTKRQAVGJMPNV-UHFFFAOYSA-N Synonym: 2,4-dinitrofluorobenzene,dinitrofluorobenzene,fdnb,dnfb,2,4-dinitro-1-fluorobenzene,sanger's reagent,fluoro-2,4-dinitrobenzene,2,4-dinitrobenzenefluoride,2,4-dinitrophenyl fluoride,fluorodinitrobenzene PubChem CID: 6264 ChEBI: CHEBI:53049 IUPAC Name: 1-fluoro-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

PubChem CID 6264
CAS 70-34-8
Molecular Weight (g/mol) 186.098
ChEBI CHEBI:53049
MDL Number MFCD00007056
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Synonym 2,4-dinitrofluorobenzene,dinitrofluorobenzene,fdnb,dnfb,2,4-dinitro-1-fluorobenzene,sanger's reagent,fluoro-2,4-dinitrobenzene,2,4-dinitrobenzenefluoride,2,4-dinitrophenyl fluoride,fluorodinitrobenzene
IUPAC Name 1-fluoro-2,4-dinitrobenzene
InChI Key LOTKRQAVGJMPNV-UHFFFAOYSA-N
Molecular Formula C6H3FN2O4
11

6-Nitrochromone, 97%

CAS: 51484-05-0 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD02954226 InChI Key: ORWADBVBOPTYQT-UHFFFAOYSA-N Synonym: 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro PubChem CID: 847716 IUPAC Name: 6-nitrochromen-4-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2

PubChem CID 847716
CAS 51484-05-0
Molecular Weight (g/mol) 191.142
MDL Number MFCD02954226
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2
Synonym 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro
IUPAC Name 6-nitrochromen-4-one
InChI Key ORWADBVBOPTYQT-UHFFFAOYSA-N
Molecular Formula C9H5NO4
12

1,4-Dinitrobenzene, 98+%

CAS: 100-25-4 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.108 MDL Number: MFCD00007314 InChI Key: FYFDQJRXFWGIBS-UHFFFAOYSA-N Synonym: p-dinitrobenzene,benzene, 1,4-dinitro,benzene, p-dinitro,dithane a-4,dinitrobenzene, p,dinitrobenzene, para,ccris 3092,1,4-dinitro-benzene,1,4-dinitrobenzene, analytical standard,para-dinitrobenzene PubChem CID: 7492 ChEBI: CHEBI:51398 IUPAC Name: 1,4-dinitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 7492
CAS 100-25-4
Molecular Weight (g/mol) 168.108
ChEBI CHEBI:51398
MDL Number MFCD00007314
SMILES C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
Synonym p-dinitrobenzene,benzene, 1,4-dinitro,benzene, p-dinitro,dithane a-4,dinitrobenzene, p,dinitrobenzene, para,ccris 3092,1,4-dinitro-benzene,1,4-dinitrobenzene, analytical standard,para-dinitrobenzene
IUPAC Name 1,4-dinitrobenzene
InChI Key FYFDQJRXFWGIBS-UHFFFAOYSA-N
Molecular Formula C6H4N2O4
13

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

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
14

1-Chloro-4-nitrobenzene, 98+%

CAS: 100-00-5 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00007285 InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N Synonym: 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene PubChem CID: 7474 ChEBI: CHEBI:34399 IUPAC Name: 1-chloro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl

PubChem CID 7474
CAS 100-00-5
Molecular Weight (g/mol) 157.553
ChEBI CHEBI:34399
MDL Number MFCD00007285
SMILES C1=CC(=CC=C1[N+](=O)[O-])Cl
Synonym 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene
IUPAC Name 1-chloro-4-nitrobenzene
InChI Key CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2
15

1-Chloro-4-nitrobenzene, 99%

CAS: 100-00-5 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.56 MDL Number: MFCD00007285 InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N Synonym: 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene PubChem CID: 7474 ChEBI: CHEBI:34399 IUPAC Name: 1-chloro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl

PubChem CID 7474
CAS 100-00-5
Molecular Weight (g/mol) 157.56
ChEBI CHEBI:34399
MDL Number MFCD00007285
SMILES C1=CC(=CC=C1[N+](=O)[O-])Cl
Synonym 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene
IUPAC Name 1-chloro-4-nitrobenzene
InChI Key CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2