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.

1 – 15 of 216 results

Nitrobenzene, 99%

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.111 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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Specifications

PubChem CID	7416
CAS	98-95-3
Molecular Weight (g/mol)	123.111
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-Nitrobenzonitrile, 98%

CAS: 619-24-9 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.121 MDL Number: MFCD00007194 InChI Key: RUSAWEHOGCWOPG-UHFFFAOYSA-N Synonym: benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril PubChem CID: 12079 IUPAC Name: 3-nitrobenzonitrile SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C#N

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Specifications

PubChem CID	12079
CAS	619-24-9
Molecular Weight (g/mol)	148.121
MDL Number	MFCD00007194
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C#N
Synonym	benzonitrile, 3-nitro,m-nitrobenzonitrile,3-cyanonitrobenzene,m-cyanonitrobenzene,benzonitrile, m-nitro,3-cyano-1-nitrobenzene,3-nitro-benzonitrile,ccris 2327,3-nitrobenzenecarbonitrile,3-nitrobenzonitril
IUPAC Name	3-nitrobenzonitrile
InChI Key	RUSAWEHOGCWOPG-UHFFFAOYSA-N
Molecular Formula	C7H4N2O2

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

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

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Specifications

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

6-Nitrobenzothiazole, 98+%

CAS: 2942-06-5 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.18 MDL Number: MFCD00014569 InChI Key: QLUFBCVWKTWKBF-UHFFFAOYSA-N IUPAC Name: 6-nitro-1,3-benzothiazole

Pricing and Availability
Specifications

CAS	2942-06-5
Molecular Weight (g/mol)	180.18
MDL Number	MFCD00014569
IUPAC Name	6-nitro-1,3-benzothiazole
InChI Key	QLUFBCVWKTWKBF-UHFFFAOYSA-N
Molecular Formula	C7H4N2O2S

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

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Specifications

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

1-Fluoro-4-nitrobenzene, 99%

CAS: 350-46-9 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.101 MDL Number: MFCD00007282 InChI Key: WFQDTOYDVUWQMS-UHFFFAOYSA-N Synonym: 4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene PubChem CID: 9590 IUPAC Name: 1-fluoro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])F

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Specifications

PubChem CID	9590
CAS	350-46-9
Molecular Weight (g/mol)	141.101
MDL Number	MFCD00007282
SMILES	C1=CC(=CC=C1[N+](=O)[O-])F
Synonym	4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene
IUPAC Name	1-fluoro-4-nitrobenzene
InChI Key	WFQDTOYDVUWQMS-UHFFFAOYSA-N
Molecular Formula	C6H4FNO2

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

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Specifications

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

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

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Specifications

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

1-Nitropropane, 98%

CAS: 108-03-2 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00007407 InChI Key: JSZOAYXJRCEYSX-UHFFFAOYSA-N Synonym: propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane PubChem CID: 7903 ChEBI: CHEBI:76261 IUPAC Name: 1-nitropropane SMILES: CCC[N+](=O)[O-]

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Specifications

PubChem CID	7903
CAS	108-03-2
Molecular Weight (g/mol)	89.094
ChEBI	CHEBI:76261
MDL Number	MFCD00007407
SMILES	CCC[N+](=O)[O-]
Synonym	propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane
IUPAC Name	1-nitropropane
InChI Key	JSZOAYXJRCEYSX-UHFFFAOYSA-N
Molecular Formula	C3H7NO2

4-Chloro-3-nitrobenzonitrile, 98%

CAS: 939-80-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00016987 InChI Key: XBLPHYSLHRGMNW-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile PubChem CID: 13655 IUPAC Name: 4-chloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

Pricing and Availability
Specifications

PubChem CID	13655
CAS	939-80-0
Molecular Weight (g/mol)	182.563
MDL Number	MFCD00016987
SMILES	C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
Synonym	3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile
IUPAC Name	4-chloro-3-nitrobenzonitrile
InChI Key	XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O2

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

1,4-Dichloro-2-nitrobenzene, 98%

CAS: 89-61-2 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD00007074 InChI Key: RZKKOBGFCAHLCZ-UHFFFAOYSA-N Synonym: 2,5-dichloronitrobenzene,nitro-p-dichlorobenzene,benzene, 1,4-dichloro-2-nitro,1-nitro-2,5-dichlorobenzene,2,5-dichlornitrobenzen,2,5-dichloro-1-nitrobenzene,benzene, 2,5-dichloronitro,2,5-dichloronitrobenzol,unii-iy18g50ff4,ccris 3096 PubChem CID: 6977 IUPAC Name: 1,4-dichloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=CC=C1Cl

Pricing and Availability
Specifications

PubChem CID	6977
CAS	89-61-2
Molecular Weight (g/mol)	192.00
MDL Number	MFCD00007074
SMILES	[O-][N+](=O)C1=CC(Cl)=CC=C1Cl
Synonym	2,5-dichloronitrobenzene,nitro-p-dichlorobenzene,benzene, 1,4-dichloro-2-nitro,1-nitro-2,5-dichlorobenzene,2,5-dichlornitrobenzen,2,5-dichloro-1-nitrobenzene,benzene, 2,5-dichloronitro,2,5-dichloronitrobenzol,unii-iy18g50ff4,ccris 3096
IUPAC Name	1,4-dichloro-2-nitrobenzene
InChI Key	RZKKOBGFCAHLCZ-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2NO2

1,3,5-Trichloro-2-nitrobenzene, 98+%

CAS: 18708-70-8 Molecular Formula: C6H2Cl3NO2 Molecular Weight (g/mol): 226.437 MDL Number: MFCD00014690 InChI Key: AEBJDOTVYMITIA-UHFFFAOYSA-N PubChem CID: 29228 IUPAC Name: 1,3,5-trichloro-2-nitrobenzene SMILES: C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl

Pricing and Availability
Specifications

PubChem CID	29228
CAS	18708-70-8
Molecular Weight (g/mol)	226.437
MDL Number	MFCD00014690
SMILES	C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl
IUPAC Name	1,3,5-trichloro-2-nitrobenzene
InChI Key	AEBJDOTVYMITIA-UHFFFAOYSA-N
Molecular Formula	C6H2Cl3NO2

2-Fluoro-5-nitrobenzonitrile, 98+%

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

Pricing and Availability
Specifications

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

Organic oxoazanium compounds

Organic oxoazanium compounds

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