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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-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

EDGE
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
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

5-Chloro-2-fluoronitrobenzene 98.0+%, TCI America™

CAS: 345-18-6 Molecular Formula: C6H3ClFNO2 Molecular Weight (g/mol): 175.543 MDL Number: MFCD00069418 InChI Key: DIAWBHLTWNWYGR-UHFFFAOYSA-N Synonym: 4-Chloro-1-fluoro-2-nitrobenzene PubChem CID: 67660 IUPAC Name: 4-chloro-1-fluoro-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])F

PubChem CID 67660
CAS 345-18-6
Molecular Weight (g/mol) 175.543
MDL Number MFCD00069418
SMILES C1=CC(=C(C=C1Cl)[N+](=O)[O-])F
Synonym 4-Chloro-1-fluoro-2-nitrobenzene
IUPAC Name 4-chloro-1-fluoro-2-nitrobenzene
InChI Key DIAWBHLTWNWYGR-UHFFFAOYSA-N
Molecular Formula C6H3ClFNO2
4

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
5
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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
6
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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
7
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3,5-Dichloro-4-fluoro-1-nitrobenzene, 95%

CAS: 3107-19-5 Molecular Formula: C6H2Cl2FNO2 Molecular Weight (g/mol): 209.99 MDL Number: MFCD00129963 InChI Key: VMAATSFMXSMKPG-UHFFFAOYSA-N Synonym: 3,5-dichloro-4-fluoronitrobenzene,benzene, 1,3-dichloro-2-fluoro-5-nitro,2,6-dichloro-4-nitrofluorobenzene,zlchem 371,pubchem4387,acmc-209hk6,ksc495g6p,3,5-dichloro-4-fluoro-1-nitrobenzene,1,3-dichloro-2-fluoro-5-nitro-benzene PubChem CID: 76554 IUPAC Name: 1,3-dichloro-2-fluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=C(F)C(Cl)=C1

PubChem CID 76554
CAS 3107-19-5
Molecular Weight (g/mol) 209.99
MDL Number MFCD00129963
SMILES [O-][N+](=O)C1=CC(Cl)=C(F)C(Cl)=C1
Synonym 3,5-dichloro-4-fluoronitrobenzene,benzene, 1,3-dichloro-2-fluoro-5-nitro,2,6-dichloro-4-nitrofluorobenzene,zlchem 371,pubchem4387,acmc-209hk6,ksc495g6p,3,5-dichloro-4-fluoro-1-nitrobenzene,1,3-dichloro-2-fluoro-5-nitro-benzene
IUPAC Name 1,3-dichloro-2-fluoro-5-nitrobenzene
InChI Key VMAATSFMXSMKPG-UHFFFAOYSA-N
Molecular Formula C6H2Cl2FNO2
8
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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
9

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
10
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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

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
11

Nitromethane, 99%, pure

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
12
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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

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
13

eMolecules​ 40107-10-6 | 1,3-Diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate | Oakwood Chemicals | MFCD00718410 | 308.290 | C14H16N2O6 | 97.000 | CCOC(=O)C(=CNc1cccc(c1)[N+]([O-])=O)C(=O)OCC | 100mg | 480157584

1,3-Diethyl 2-{[(3-nitrophenyl)amino]methylidene}propanedioate | Oakwood Chemicals | 40107-10-6 | MFCD00718410 | 308.290 | C14H16N2O6 | 97.000 | CCOC(=O)C(=CNc1cccc(c1)[N+]([O-])=O)C(=O)OCC | 100mg | 480157584

ENCOMPASS_PREFERRED
14

Aobchem AOBCHEM

5001027078 2 4 5-TRICHLOROBENZONITRILE 10

ENCOMPASS_PREFERRED
15

Aobchem AOBCHEM

5001041585 2 3 4-TRIFLUORONITROBENZENE 10

ENCOMPASS_PREFERRED