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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 52 results
1

2-Fluoro-5-nitrobenzonitrile, 97%, Thermo Scientific™

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
2

2-Chloro-4-nitrobenzonitrile, 97%, Thermo Scientific™

CAS: 28163-00-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.56 MDL Number: MFCD00052203 InChI Key: ZIGQFRQZYVQQDR-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro-benzonitrile,benzonitrile, 2-chloro-4-nitro,2-chloro-4-nitrobenzenecarbonitrile,pubchem18759,acmc-1ceg9,2-chloro-4-nitrobenzonitril,chloronitrobenzenecarbonitrile,3-chloro-4-cyanonitrobenzene,ksc497k1r PubChem CID: 141401 IUPAC Name: 2-chloro-4-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1

PubChem CID 141401
CAS 28163-00-0
Molecular Weight (g/mol) 182.56
MDL Number MFCD00052203
SMILES [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1
Synonym 2-chloro-4-nitro-benzonitrile,benzonitrile, 2-chloro-4-nitro,2-chloro-4-nitrobenzenecarbonitrile,pubchem18759,acmc-1ceg9,2-chloro-4-nitrobenzonitril,chloronitrobenzenecarbonitrile,3-chloro-4-cyanonitrobenzene,ksc497k1r
IUPAC Name 2-chloro-4-nitrobenzonitrile
InChI Key ZIGQFRQZYVQQDR-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
3

7-Nitroindole-2-carboxylic acid, 90%, Thermo Scientific™

CAS: 6960-45-8 Molecular Formula: C9H6N2O4 Molecular Weight (g/mol): 206.157 InChI Key: BIUCOFQROHIAEO-UHFFFAOYSA-N Synonym: 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro PubChem CID: 81409 SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O

PubChem CID 81409
CAS 6960-45-8
Molecular Weight (g/mol) 206.157
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
Synonym 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro
InChI Key BIUCOFQROHIAEO-UHFFFAOYSA-N
Molecular Formula C9H6N2O4
4

6-Nitro-1,3-dihydroisobenzofuran-1-one, 97%, Thermo Scientific™

CAS: 610-93-5 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00033529 InChI Key: RNWGZXAHUPFXLL-UHFFFAOYSA-N Synonym: 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide PubChem CID: 223584 IUPAC Name: 6-nitro-1,3-dihydro-2-benzofuran-1-one SMILES: [O-][N+](=O)C1=CC=C2COC(=O)C2=C1

PubChem CID 223584
CAS 610-93-5
Molecular Weight (g/mol) 179.13
MDL Number MFCD00033529
SMILES [O-][N+](=O)C1=CC=C2COC(=O)C2=C1
Synonym 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide
IUPAC Name 6-nitro-1,3-dihydro-2-benzofuran-1-one
InChI Key RNWGZXAHUPFXLL-UHFFFAOYSA-N
Molecular Formula C8H5NO4
5

Ethyl 5-nitroindole-2-carboxylate, 95%

CAS: 16732-57-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00216477 InChI Key: DVFJMQCNICEPAI-UHFFFAOYSA-N Synonym: ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7 PubChem CID: 280312 IUPAC Name: ethyl 5-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O

PubChem CID 280312
CAS 16732-57-3
Molecular Weight (g/mol) 234.21
MDL Number MFCD00216477
SMILES CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O
Synonym ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7
IUPAC Name ethyl 5-nitro-1H-indole-2-carboxylate
InChI Key DVFJMQCNICEPAI-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

2,6-Difluoronitrobenzene, 98%, Thermo Scientific™

CAS: 19064-24-5 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.09 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) 159.09
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
8

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
9
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Nitromethane, 96%, for HPLC
GREENER_CHOICE

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

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
11

2,4-Dichloro-5-nitropyrimidine, 97%

CAS: 49845-33-2 Molecular Formula: C4HCl2N3O2 Molecular Weight (g/mol): 193.97 MDL Number: MFCD00127867 InChI Key: INUSQTPGSHFGHM-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-nitro-pyrimidine,pyrimidine, 2,4-dichloro-5-nitro,2, 4-dichloro-5-nitropyrimidine,3-nitro-2,4-dichloropyrimidine,2,4-dichloro-5-nitro pyrimidine,zlchem 540,pubchem7079,acmc-1ann4,ksc236i7h,2,4-dichloro5-nitropyrimidine PubChem CID: 521266 IUPAC Name: 2,4-dichloro-5-nitropyrimidine SMILES: [O-][N+](=O)C1=CN=C(Cl)N=C1Cl

PubChem CID 521266
CAS 49845-33-2
Molecular Weight (g/mol) 193.97
MDL Number MFCD00127867
SMILES [O-][N+](=O)C1=CN=C(Cl)N=C1Cl
Synonym 2,4-dichloro-5-nitro-pyrimidine,pyrimidine, 2,4-dichloro-5-nitro,2, 4-dichloro-5-nitropyrimidine,3-nitro-2,4-dichloropyrimidine,2,4-dichloro-5-nitro pyrimidine,zlchem 540,pubchem7079,acmc-1ann4,ksc236i7h,2,4-dichloro5-nitropyrimidine
IUPAC Name 2,4-dichloro-5-nitropyrimidine
InChI Key INUSQTPGSHFGHM-UHFFFAOYSA-N
Molecular Formula C4HCl2N3O2
13

Nitrobenzene, 99%, Extra Pure

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
14

3-Nitrophthalic anhydride, 97%

CAS: 641-70-3 Molecular Formula: C8H3NO5 Molecular Weight (g/mol): 193.11 MDL Number: MFCD00005921 InChI Key: ROFZMKDROVBLNY-UHFFFAOYSA-N Synonym: 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride PubChem CID: 21631 IUPAC Name: 4-nitro-2-benzofuran-1,3-dione SMILES: [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O

PubChem CID 21631
CAS 641-70-3
Molecular Weight (g/mol) 193.11
MDL Number MFCD00005921
SMILES [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O
Synonym 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride
IUPAC Name 4-nitro-2-benzofuran-1,3-dione
InChI Key ROFZMKDROVBLNY-UHFFFAOYSA-N
Molecular Formula C8H3NO5
15
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1-Chloro-2,4-dinitrobenzene, 99%

CAS: 97-00-7 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007075 InChI Key: VYZAHLCBVHPDDF-UHFFFAOYSA-N Synonym: 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene PubChem CID: 6 ChEBI: CHEBI:34718 IUPAC Name: 1-chloro-2,4-dinitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

PubChem CID 6
CAS 97-00-7
Molecular Weight (g/mol) 202.55
ChEBI CHEBI:34718
MDL Number MFCD00007075
SMILES [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene
IUPAC Name 1-chloro-2,4-dinitrobenzene
InChI Key VYZAHLCBVHPDDF-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4