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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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

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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

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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

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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

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1,5-Dichloro-2,4-dinitrobenzene, 97%

CAS: 3698-83-7 Molecular Formula: C6H2Cl2N2O4 Molecular Weight (g/mol): 236.992 MDL Number: MFCD00024186 InChI Key: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N Synonym: 1,3-dichloro-4,6-dinitrobenzene,benzene, 1,5-dichloro-2,4-dinitro,2,4-dichloro-1,5-dinitrobenzene,4,6-dichloro-1,3-dinitrobenzene,unii-6enc7c8zr0,6enc7c8zr0,1,5-dichloro-2,4-dinitro-benzene,1,3,-dichloro-4,6-dinitrobenzene,1,5-dichlor-2,4-dinitrobenzol,2,5-dinitrobenzene PubChem CID: 77286 IUPAC Name: 1,5-dichloro-2,4-dinitrobenzene SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

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PubChem CID	77286
CAS	3698-83-7
Molecular Weight (g/mol)	236.992
MDL Number	MFCD00024186
SMILES	C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
Synonym	1,3-dichloro-4,6-dinitrobenzene,benzene, 1,5-dichloro-2,4-dinitro,2,4-dichloro-1,5-dinitrobenzene,4,6-dichloro-1,3-dinitrobenzene,unii-6enc7c8zr0,6enc7c8zr0,1,5-dichloro-2,4-dinitro-benzene,1,3,-dichloro-4,6-dinitrobenzene,1,5-dichlor-2,4-dinitrobenzol,2,5-dinitrobenzene
IUPAC Name	1,5-dichloro-2,4-dinitrobenzene
InChI Key	ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
Molecular Formula	C6H2Cl2N2O4

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-]

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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

3,4-Dichloronitrobenzene 97.0+%, TCI America™

CAS: 99-54-7 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD00007207 InChI Key: NTBYINQTYWZXLH-UHFFFAOYSA-N Synonym: 3,4-dichloronitrobenzene,benzene, 1,2-dichloro-4-nitro,dcnb,1-nitro-3,4-dichlorobenzene,3,4-dichlornitrobenzen,unii-ijt74ji7fs,ccris 3097,1,2-dichloro-4-nitro-benzene,3,4-dichlornitrobenzen czech,3,4-dichloronitrobenzen czech PubChem CID: 7443 IUPAC Name: 1,2-dichloro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1

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PubChem CID	7443
CAS	99-54-7
Molecular Weight (g/mol)	192.00
MDL Number	MFCD00007207
SMILES	[O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1
Synonym	3,4-dichloronitrobenzene,benzene, 1,2-dichloro-4-nitro,dcnb,1-nitro-3,4-dichlorobenzene,3,4-dichlornitrobenzen,unii-ijt74ji7fs,ccris 3097,1,2-dichloro-4-nitro-benzene,3,4-dichlornitrobenzen czech,3,4-dichloronitrobenzen czech
IUPAC Name	1,2-dichloro-4-nitrobenzene
InChI Key	NTBYINQTYWZXLH-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2NO2

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3-Nitroaniline, 98%

CAS: 99-09-2 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007782 InChI Key: XJCVRTZCHMZPBD-UHFFFAOYSA-N Synonym: m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine PubChem CID: 7423 IUPAC Name: 3-nitroaniline SMILES: NC1=CC=CC(=C1)[N+]([O-])=O

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PubChem CID	7423
CAS	99-09-2
Molecular Weight (g/mol)	138.13
MDL Number	MFCD00007782
SMILES	NC1=CC=CC(=C1)[N+]([O-])=O
Synonym	m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine
IUPAC Name	3-nitroaniline
InChI Key	XJCVRTZCHMZPBD-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

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4-Nitrophenyl formate, 98%

CAS: 1865-01-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00014713 InChI Key: IEXRKQFZXJSHOB-UHFFFAOYSA-N PubChem CID: 74628 IUPAC Name: (4-nitrophenyl) formate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC=O

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PubChem CID	74628
CAS	1865-01-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00014713
SMILES	C1=CC(=CC=C1[N+](=O)[O-])OC=O
IUPAC Name	(4-nitrophenyl) formate
InChI Key	IEXRKQFZXJSHOB-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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5-Nitrobenzothiazole, 96%, Thermo Scientific Chemicals

CAS: 2942-07-6 MDL Number: MFCD00085891

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CAS	2942-07-6
MDL Number	MFCD00085891

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8-Nitroquinoline, 98%

CAS: 607-35-2 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00006806 InChI Key: OQHHSGRZCKGLCY-UHFFFAOYSA-N Synonym: quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825 PubChem CID: 11830 IUPAC Name: 8-nitroquinoline SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

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PubChem CID	11830
CAS	607-35-2
Molecular Weight (g/mol)	174.159
MDL Number	MFCD00006806
SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
Synonym	quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825
IUPAC Name	8-nitroquinoline
InChI Key	OQHHSGRZCKGLCY-UHFFFAOYSA-N
Molecular Formula	C9H6N2O2

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Nitromethane, 96%, ACS reagent

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

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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

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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

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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

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1,2,3-Trifluoro-5-nitrobenzene, 99%

CAS: 66684-58-0 Molecular Formula: C6H2F3NO2 Molecular Weight (g/mol): 177.08 MDL Number: MFCD00456803 InChI Key: PTTUMBGORBMNBN-UHFFFAOYSA-N Synonym: 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene PubChem CID: 2782793 IUPAC Name: 1,2,3-trifluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1

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PubChem CID	2782793
CAS	66684-58-0
Molecular Weight (g/mol)	177.08
MDL Number	MFCD00456803
SMILES	[O-][N+](=O)C1=CC(F)=C(F)C(F)=C1
Synonym	3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene
IUPAC Name	1,2,3-trifluoro-5-nitrobenzene
InChI Key	PTTUMBGORBMNBN-UHFFFAOYSA-N
Molecular Formula	C6H2F3NO2

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-]

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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

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PubChem CID	7423
CAS	99-09-2
Molecular Weight (g/mol)	138.13
MDL Number	MFCD00007782
SMILES	NC1=CC=CC(=C1)[N+]([O-])=O
Synonym	m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine
IUPAC Name	3-nitroaniline
InChI Key	XJCVRTZCHMZPBD-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

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4-Nitrophenyl chloroformate, 97%

CAS: 7693-46-1 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007321 InChI Key: NXLNNXIXOYSCMB-UHFFFAOYSA-N Synonym: 4-nitrophenyl chloroformate,carbonochloridic acid, 4-nitrophenyl ester,chloroformic acid 4-nitrophenyl ester,p-nitrophenyl chloroformate,chloroformic acid p-nitrophenyl ester,4-nitrophenyl carbonochloridate,formic acid, chloro-, p-nitrophenyl ester,4-nitrophenylchlorocarbonat,4-nitrophenyl choroformate PubChem CID: 82129 IUPAC Name: (4-nitrophenyl) carbonochloridate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl

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PubChem CID	82129
CAS	7693-46-1
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007321
SMILES	C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl
Synonym	4-nitrophenyl chloroformate,carbonochloridic acid, 4-nitrophenyl ester,chloroformic acid 4-nitrophenyl ester,p-nitrophenyl chloroformate,chloroformic acid p-nitrophenyl ester,4-nitrophenyl carbonochloridate,formic acid, chloro-, p-nitrophenyl ester,4-nitrophenylchlorocarbonat,4-nitrophenyl choroformate
IUPAC Name	(4-nitrophenyl) carbonochloridate
InChI Key	NXLNNXIXOYSCMB-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

Organic oxoazanium compounds

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