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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 219 results
1

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

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
2

4-Nitrobenzenediazonium tetrafluoroborate, 97%

CAS: 456-27-9 Molecular Formula: C6H4BF4N3O2 Molecular Weight (g/mol): 236.92 MDL Number: MFCD00012005 InChI Key: AFULQCYCQAHYIP-UHFFFAOYSA-N Synonym: 4-nitrobenzenediazonium tetrafluoroborate,ccris 3641,unii-2uxo615r4o,p-nitrobenzenediazonium tetrafluoroborate,benzenediazonium, 4-nitro-, tetrafluoroborate 1-,p-nitrophenyldiazonium fluoborate,p-nitrobenzenediazonium fluoborate,4-nitrobenzenediazonium fluoborate,p-nitrobenzenediazonium fluoroborate,4-nitrobenzenediazonium fluoroborate PubChem CID: 68006 IUPAC Name: 4-nitrobenzenediazonium;tetrafluoroborate SMILES: F[B-](F)(F)F.[O-][N+](=O)C1=CC=C(C=C1)[N+]#N

PubChem CID 68006
CAS 456-27-9
Molecular Weight (g/mol) 236.92
MDL Number MFCD00012005
SMILES F[B-](F)(F)F.[O-][N+](=O)C1=CC=C(C=C1)[N+]#N
Synonym 4-nitrobenzenediazonium tetrafluoroborate,ccris 3641,unii-2uxo615r4o,p-nitrobenzenediazonium tetrafluoroborate,benzenediazonium, 4-nitro-, tetrafluoroborate 1-,p-nitrophenyldiazonium fluoborate,p-nitrobenzenediazonium fluoborate,4-nitrobenzenediazonium fluoborate,p-nitrobenzenediazonium fluoroborate,4-nitrobenzenediazonium fluoroborate
IUPAC Name 4-nitrobenzenediazonium;tetrafluoroborate
InChI Key AFULQCYCQAHYIP-UHFFFAOYSA-N
Molecular Formula C6H4BF4N3O2
3

4-Fluoro-3-nitroaniline, 98%

CAS: 364-76-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007833 InChI Key: LLIOADBCFIXIEU-UHFFFAOYSA-N Synonym: 3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline PubChem CID: 67768 ChEBI: CHEBI:48642 IUPAC Name: 4-fluoro-3-nitroaniline SMILES: NC1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67768
CAS 364-76-1
Molecular Weight (g/mol) 156.12
ChEBI CHEBI:48642
MDL Number MFCD00007833
SMILES NC1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline
IUPAC Name 4-fluoro-3-nitroaniline
InChI Key LLIOADBCFIXIEU-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
4

Ethyl 4-nitroindole-2-carboxylate, 97%

CAS: 4993-93-5 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.211 MDL Number: MFCD06795512 InChI Key: LXUABEANNNKOLF-UHFFFAOYSA-N Synonym: ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester PubChem CID: 283173 IUPAC Name: ethyl 4-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]

PubChem CID 283173
CAS 4993-93-5
Molecular Weight (g/mol) 234.211
MDL Number MFCD06795512
SMILES CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]
Synonym ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester
IUPAC Name ethyl 4-nitro-1H-indole-2-carboxylate
InChI Key LXUABEANNNKOLF-UHFFFAOYSA-N
Molecular Formula C11H10N2O4
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

2,4-Dinitrophenylacetic acid, 98%

CAS: 643-43-6 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.144 MDL Number: MFCD00007227 InChI Key: KCNISYPADDTFDO-UHFFFAOYSA-N Synonym: 2,4-dinitrophenylacetic acid,2-2,4-dinitrophenyl acetic acid,2,4-dinitrophenyl acetic acid,benzeneacetic acid, 2,4-dinitro,acmc-209nlg,2,4-dimtrophenylacetic acid,ncistruc1_000234,ncistruc2_000110,2,4-dinitrobenzeneacetic acid,benzeneacetic acid,4-dinitro PubChem CID: 221513 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)O

PubChem CID 221513
CAS 643-43-6
Molecular Weight (g/mol) 226.144
MDL Number MFCD00007227
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)O
Synonym 2,4-dinitrophenylacetic acid,2-2,4-dinitrophenyl acetic acid,2,4-dinitrophenyl acetic acid,benzeneacetic acid, 2,4-dinitro,acmc-209nlg,2,4-dimtrophenylacetic acid,ncistruc1_000234,ncistruc2_000110,2,4-dinitrobenzeneacetic acid,benzeneacetic acid,4-dinitro
InChI Key KCNISYPADDTFDO-UHFFFAOYSA-N
Molecular Formula C8H6N2O6
7

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
8

5-Chloro-2,4-dinitrotoluene, 97%

CAS: 51676-74-5 Molecular Formula: C7H5ClN2O4 Molecular Weight (g/mol): 216.577 MDL Number: MFCD00041235 InChI Key: KPDPGZNHKMJEFZ-UHFFFAOYSA-N Synonym: 5-chloro-2,4-dinitrotoluene,toluene, 5-chloro-2,4-dinitro,1-chloro-5-methyl-2,4-dinitro-benzene,2-chloro-4-methyl-1,5-dinitrobenzene,acmc-20am4s,5-chlor-2.4-dinitrotoluol,benzene,1-chloro-5-methyl-2,4-dinitro,1-chloranyl-5-methyl-2,4-dinitro-benzene PubChem CID: 253802 IUPAC Name: 1-chloro-5-methyl-2,4-dinitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

PubChem CID 253802
CAS 51676-74-5
Molecular Weight (g/mol) 216.577
MDL Number MFCD00041235
SMILES CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
Synonym 5-chloro-2,4-dinitrotoluene,toluene, 5-chloro-2,4-dinitro,1-chloro-5-methyl-2,4-dinitro-benzene,2-chloro-4-methyl-1,5-dinitrobenzene,acmc-20am4s,5-chlor-2.4-dinitrotoluol,benzene,1-chloro-5-methyl-2,4-dinitro,1-chloranyl-5-methyl-2,4-dinitro-benzene
IUPAC Name 1-chloro-5-methyl-2,4-dinitrobenzene
InChI Key KPDPGZNHKMJEFZ-UHFFFAOYSA-N
Molecular Formula C7H5ClN2O4
9

Nitromethane, 96%, for HPLC

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

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
10

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
11

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
12

1,2-Dichloro-4-fluoro-5-nitrobenzene, 95%

CAS: 2339-78-8 Molecular Formula: C6H2Cl2FNO2 Molecular Weight (g/mol): 209.985 MDL Number: MFCD00075330 InChI Key: FXOCDIKCKFOUDE-UHFFFAOYSA-N Synonym: 4,5-dichloro-2-fluoronitrobenzene,benzene, 1,2-dichloro-4-fluoro-5-nitro,buttpark 89\07-58,4,5-dichloro-2-fluoro-1-nitrobenzene,pubchem4385,intermediates-zcf02626,ksc201k5p,1,2-ichloro-4-luoro-5-itro-benzene PubChem CID: 533951 IUPAC Name: 1,2-dichloro-4-fluoro-5-nitrobenzene SMILES: C1=C(C(=CC(=C1Cl)Cl)F)[N+](=O)[O-]

PubChem CID 533951
CAS 2339-78-8
Molecular Weight (g/mol) 209.985
MDL Number MFCD00075330
SMILES C1=C(C(=CC(=C1Cl)Cl)F)[N+](=O)[O-]
Synonym 4,5-dichloro-2-fluoronitrobenzene,benzene, 1,2-dichloro-4-fluoro-5-nitro,buttpark 89\07-58,4,5-dichloro-2-fluoro-1-nitrobenzene,pubchem4385,intermediates-zcf02626,ksc201k5p,1,2-ichloro-4-luoro-5-itro-benzene
IUPAC Name 1,2-dichloro-4-fluoro-5-nitrobenzene
InChI Key FXOCDIKCKFOUDE-UHFFFAOYSA-N
Molecular Formula C6H2Cl2FNO2
13

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

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
14

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-]

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
15

3,5-Dinitrobenzonitrile, 98%

CAS: 4110-35-4 Molecular Formula: C7H3N3O4 Molecular Weight (g/mol): 193.12 MDL Number: MFCD00007228 InChI Key: SSDNULNTQAUNFQ-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-dinitro,3,5-dinitro-benzonitrile,3,5-dinitrobenzenecarbonitrile,acmc-209jih,3,5-bisnitrobenzonitrile,3,5-dinitrobenzonitrile,wln: wnr cnw ecn,benzonitrile,3,5-dinitro,1,3-dinitro-5-cyanobenzene,5-cyano-1,3-dinitrobenzene PubChem CID: 20062 IUPAC Name: 3,5-dinitrobenzonitrile SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C#N)[N+]([O-])=O

PubChem CID 20062
CAS 4110-35-4
Molecular Weight (g/mol) 193.12
MDL Number MFCD00007228
SMILES [O-][N+](=O)C1=CC(=CC(=C1)C#N)[N+]([O-])=O
Synonym benzonitrile, 3,5-dinitro,3,5-dinitro-benzonitrile,3,5-dinitrobenzenecarbonitrile,acmc-209jih,3,5-bisnitrobenzonitrile,3,5-dinitrobenzonitrile,wln: wnr cnw ecn,benzonitrile,3,5-dinitro,1,3-dinitro-5-cyanobenzene,5-cyano-1,3-dinitrobenzene
IUPAC Name 3,5-dinitrobenzonitrile
InChI Key SSDNULNTQAUNFQ-UHFFFAOYSA-N
Molecular Formula C7H3N3O4