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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Specifications

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

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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Specifications

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-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

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Specifications

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

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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Specifications

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

Nitromethane, 98+%

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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Specifications

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

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

1-Chloro-2,4-dinitrobenzene, 98%

Pricing and Availability
Specifications

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

1-Chloro-3-nitrobenzene, 98%

CAS: 121-73-3 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.55 MDL Number: MFCD00007202 InChI Key: KMAQZIILEGKYQZ-UHFFFAOYSA-N Synonym: m-chloronitrobenzene,3-nitrochlorobenzene,3-chloronitrobenzene,m-nitrochlorobenzene,benzene, 1-chloro-3-nitro,chloro-m-nitrobenzene,3-chloro-1-nitrobenzene,metachloronitrobenzene,1-chloronitrobenzene,1-nitro-3-chlorobenzene PubChem CID: 8489 ChEBI: CHEBI:82420 IUPAC Name: 1-chloro-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	8489
CAS	121-73-3
Molecular Weight (g/mol)	157.55
ChEBI	CHEBI:82420
MDL Number	MFCD00007202
SMILES	[O-][N+](=O)C1=CC=CC(Cl)=C1
Synonym	m-chloronitrobenzene,3-nitrochlorobenzene,3-chloronitrobenzene,m-nitrochlorobenzene,benzene, 1-chloro-3-nitro,chloro-m-nitrobenzene,3-chloro-1-nitrobenzene,metachloronitrobenzene,1-chloronitrobenzene,1-nitro-3-chlorobenzene
IUPAC Name	1-chloro-3-nitrobenzene
InChI Key	KMAQZIILEGKYQZ-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO2

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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Specifications

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

2,6-Dinitrotoluene, 97%

CAS: 606-20-2 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00007158 InChI Key: XTRDKALNCIHHNI-UHFFFAOYSA-N Synonym: 2,6-dinitrotoluene,2,6-dnt,benzene, 2-methyl-1,3-dinitro,1-methyl-2,6-dinitrobenzene,2,6-dinitromethylbenzene,toluene, 2,6-dinitro,rcra waste number u106,2-methyl-1,3-dinitro-benzene,unii-gg7fav92mk,ccris 1006 PubChem CID: 11813 ChEBI: CHEBI:957 IUPAC Name: 2-methyl-1,3-dinitrobenzene SMILES: CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]

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Specifications

PubChem CID	11813
CAS	606-20-2
Molecular Weight (g/mol)	182.135
ChEBI	CHEBI:957
MDL Number	MFCD00007158
SMILES	CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
Synonym	2,6-dinitrotoluene,2,6-dnt,benzene, 2-methyl-1,3-dinitro,1-methyl-2,6-dinitrobenzene,2,6-dinitromethylbenzene,toluene, 2,6-dinitro,rcra waste number u106,2-methyl-1,3-dinitro-benzene,unii-gg7fav92mk,ccris 1006
IUPAC Name	2-methyl-1,3-dinitrobenzene
InChI Key	XTRDKALNCIHHNI-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

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

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Specifications

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

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

Pricing and Availability
Specifications

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

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

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Specifications

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

trans-beta-Methyl-beta-nitrostyrene, 99%

CAS: 705-60-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00014720 InChI Key: WGSVFWFSJDAYBM-BQYQJAHWSA-N Synonym: 1-phenyl-2-nitropropene,2-nitroprop-1-en-1-yl benzene,2-nitro-1-propenyl benzene,2-nitropropenyl benzene,benzene, 2-nitro-1-propenyl,benzene, 2-nitropropenyl,1-2-nitropropenyl benzene,caswell no. 604,trans-beta-methyl-beta-nitrostyrene PubChem CID: 1549520 IUPAC Name: [(E)-2-nitroprop-1-enyl]benzene SMILES: C\C(=C/C1=CC=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	1549520
CAS	705-60-2
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00014720
SMILES	C\C(=C/C1=CC=CC=C1)[N+]([O-])=O
Synonym	1-phenyl-2-nitropropene,2-nitroprop-1-en-1-yl benzene,2-nitro-1-propenyl benzene,2-nitropropenyl benzene,benzene, 2-nitro-1-propenyl,benzene, 2-nitropropenyl,1-2-nitropropenyl benzene,caswell no. 604,trans-beta-methyl-beta-nitrostyrene
IUPAC Name	[(E)-2-nitroprop-1-enyl]benzene
InChI Key	WGSVFWFSJDAYBM-BQYQJAHWSA-N
Molecular Formula	C9H9NO2

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

Pricing and Availability
Specifications

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

Organic oxoazanium compounds

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