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Organiske oxoazanforbindelser

Organiske forbindelser, der indeholder eller er forbundet med en oxoazaniumion; oxoazaniumioner har et oxygenatom bundet til et nitrogenatom via en dobbeltbinding, og nitrogenatomet er bundet til to hydrogenatomer.

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1

Nitromethane, 96%, for spectroscopy

CAS: 75-52-5 Molekylær formel: CH3NO2 Molekylvægt (g/mol): 61.04 MDL nummer: MFCD00007400 InChI nøgle: 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 navn: nitromethan SMIL: C[N+]([O-])=O

MDL nummer MFCD00007400
PubChem CID 6375
Molekylvægt (g/mol) 61.04
CAS 75-52-5
ChEBI CHEBI:77701
Synonym methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4
SMIL C[N+]([O-])=O
IUPAC navn nitromethan
InChI nøgle LYGJENNIWJXYER-UHFFFAOYSA-N
Molekylær formel CH3NO2
2

5-nitroindol, 99 %, Thermo Scientific Chemicals

CAS: 6146-52-7 Molekylær formel: C8H6N2O2 Molekylvægt (g/mol): 162.15 MDL nummer: MFCD00005673 InChI nøgle: 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 navn: 5-nitro-1H-indol SMIL: C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]

MDL nummer MFCD00005673
PubChem CID 22523
Molekylvægt (g/mol) 162.15
CAS 6146-52-7
Synonym 5-nitroindole,1h-indole, 5-nitro,indole, 5-nitro,unii-o2bhx6edbn,5-nitro indole,ccris 3255,o2bhx6edbn,pubchem1711,acmc-209msr
SMIL C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]
IUPAC navn 5-nitro-1H-indol
InChI nøgle OZFPSOBLQZPIAV-UHFFFAOYSA-N
Molekylær formel C8H6N2O2
3

2-Nitrobenzenesulfenyl chloride, 98%

CAS: 7669-54-7 Molekylær formel: C6H4ClNO2S Molekylvægt (g/mol): 189.62 MDL nummer: MFCD00007128 InChI nøgle: 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 navn: (2-nitrophenyl)thiohypochlorit SMIL: C1=CC=C(C(=C1)[N+](=O)[O-])SCl

MDL nummer MFCD00007128
PubChem CID 24319
Molekylvægt (g/mol) 189.62
CAS 7669-54-7
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
SMIL C1=CC=C(C(=C1)[N+](=O)[O-])SCl
IUPAC navn (2-nitrophenyl)thiohypochlorit
InChI nøgle NTNKNFHIAFDCSJ-UHFFFAOYSA-N
Molekylær formel C6H4ClNO2S
4

4-Nitrophenyl chloroformate, 97%

CAS: 7693-46-1 Molekylær formel: C7H4ClNO4 Molekylvægt (g/mol): 201.562 MDL nummer: MFCD00007321 InChI nøgle: 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 navn: (4-nitrophenyl)carbonochloridat SMIL: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl

MDL nummer MFCD00007321
PubChem CID 82129
Molekylvægt (g/mol) 201.562
CAS 7693-46-1
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
SMIL C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl
IUPAC navn (4-nitrophenyl)carbonochloridat
InChI nøgle NXLNNXIXOYSCMB-UHFFFAOYSA-N
Molekylær formel C7H4ClNO4
5

1-fluor-4-nitrobenzen, 99 %, Thermo Scientific Chemicals

CAS: 350-46-9 Molekylær formel: C6H4FNO2 Molekylvægt (g/mol): 141.101 MDL nummer: MFCD00007282 InChI nøgle: 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 navn: 1-fluor-4-nitrobenzen SMIL: C1=CC(=CC=C1[N+](=O)[O-])F

MDL nummer MFCD00007282
PubChem CID 9590
Molekylvægt (g/mol) 141.101
CAS 350-46-9
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
SMIL C1=CC(=CC=C1[N+](=O)[O-])F
IUPAC navn 1-fluor-4-nitrobenzen
InChI nøgle WFQDTOYDVUWQMS-UHFFFAOYSA-N
Molekylær formel C6H4FNO2
6

3-Nitrobenzonitrile, 98%

CAS: 619-24-9 Molekylær formel: C7H4N2O2 Molekylvægt (g/mol): 148.12 MDL nummer: MFCD00007194 InChI nøgle: 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 navn: 3-nitrobenzonitril SMIL: C1=CC(=CC(=C1)[N+](=O)[O-])C#N

MDL nummer MFCD00007194
PubChem CID 12079
Molekylvægt (g/mol) 148.12
CAS 619-24-9
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
SMIL C1=CC(=CC(=C1)[N+](=O)[O-])C#N
IUPAC navn 3-nitrobenzonitril
InChI nøgle RUSAWEHOGCWOPG-UHFFFAOYSA-N
Molekylær formel C7H4N2O2
7

5-Nitrobenzothiazole, 96%, Thermo Scientific Chemicals

CAS: 2942-07-6 MDL nummer: MFCD00085891

MDL nummer MFCD00085891
CAS 2942-07-6
8

4-Nitrodiphenylamine, 98+%

CAS: 836-30-6 Molekylær formel: C12H10N2O2 Molekylvægt (g/mol): 214.22 MDL nummer: MFCD00007301 InChI nøgle: XXYMSQQCBUKFHE-UHFFFAOYSA-N Synonym: 4-nitrodiphenylamine,p-nitrodiphenylamine,benzenamine, 4-nitro-n-phenyl,diphenylamine, 4-nitro,4-nitrodifenylamin,4-ndpa,p-nitrophenylphenylamine,4-nitro-n-phenyl-aniline,4-nitrophenyl phenylamine,4-nitrodifenylamin czech PubChem CID: 13271 IUPAC navn: 4-nitro-N-phenylanilin SMIL: [O-][N+](=O)C1=CC=C(NC2=CC=CC=C2)C=C1

MDL nummer MFCD00007301
PubChem CID 13271
Molekylvægt (g/mol) 214.22
CAS 836-30-6
Synonym 4-nitrodiphenylamine,p-nitrodiphenylamine,benzenamine, 4-nitro-n-phenyl,diphenylamine, 4-nitro,4-nitrodifenylamin,4-ndpa,p-nitrophenylphenylamine,4-nitro-n-phenyl-aniline,4-nitrophenyl phenylamine,4-nitrodifenylamin czech
SMIL [O-][N+](=O)C1=CC=C(NC2=CC=CC=C2)C=C1
IUPAC navn 4-nitro-N-phenylanilin
InChI nøgle XXYMSQQCBUKFHE-UHFFFAOYSA-N
Molekylær formel C12H10N2O2
9

6-Nitroindole, 97%

CAS: 4769-96-4 Molekylær formel: C8H6N2O2 Molekylvægt (g/mol): 162.15 MDL nummer: MFCD00051497 InChI nøgle: PSWCIARYGITEOY-UHFFFAOYSA-N Synonym: 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p PubChem CID: 78502 IUPAC navn: 6-nitro-1H-indol SMIL: [O-][N+](=O)C1=CC=C2C=CNC2=C1

MDL nummer MFCD00051497
PubChem CID 78502
Molekylvægt (g/mol) 162.15
CAS 4769-96-4
Synonym 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p
SMIL [O-][N+](=O)C1=CC=C2C=CNC2=C1
IUPAC navn 6-nitro-1H-indol
InChI nøgle PSWCIARYGITEOY-UHFFFAOYSA-N
Molekylær formel C8H6N2O2
10

2-fluor-5-nitrobenzonitril, 97 %, Thermo Scientific™

CAS: 17417-09-3 Molekylær formel: C7H3FN2O2 Molekylvægt (g/mol): 166.11 MDL nummer: MFCD00042299 InChI nøgle: 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 navn: 2-fluor-5-nitrobenzonitril SMIL: [O-][N+](=O)C1=CC=C(F)C(=C1)C#N

MDL nummer MFCD00042299
PubChem CID 519417
Molekylvægt (g/mol) 166.11
CAS 17417-09-3
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
SMIL [O-][N+](=O)C1=CC=C(F)C(=C1)C#N
IUPAC navn 2-fluor-5-nitrobenzonitril
InChI nøgle YLACBMHBZVYOAP-UHFFFAOYSA-N
Molekylær formel C7H3FN2O2
11

2-chlor-4-nitrobenzonitril, 97 %, Thermo Scientific™

CAS: 28163-00-0 Molekylær formel: C7H3ClN2O2 Molekylvægt (g/mol): 182.56 MDL nummer: MFCD00052203 InChI nøgle: 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 navn: 2-chlor-4-nitrobenzonitril SMIL: [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1

MDL nummer MFCD00052203
PubChem CID 141401
Molekylvægt (g/mol) 182.56
CAS 28163-00-0
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
SMIL [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1
IUPAC navn 2-chlor-4-nitrobenzonitril
InChI nøgle ZIGQFRQZYVQQDR-UHFFFAOYSA-N
Molekylær formel C7H3ClN2O2
12

6-nitro-1,3-dihydroisobenzofuran-1-on, 97 %, Thermo Scientific™

CAS: 610-93-5 Molekylær formel: C8H5NO4 Molekylvægt (g/mol): 179.13 MDL nummer: MFCD00033529 InChI nøgle: 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 navn: 6-nitro-1,3-dihydro-2-benzofuran-1-on SMIL: [O-][N+](=O)C1=CC=C2COC(=O)C2=C1

MDL nummer MFCD00033529
PubChem CID 223584
Molekylvægt (g/mol) 179.13
CAS 610-93-5
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
SMIL [O-][N+](=O)C1=CC=C2COC(=O)C2=C1
IUPAC navn 6-nitro-1,3-dihydro-2-benzofuran-1-on
InChI nøgle RNWGZXAHUPFXLL-UHFFFAOYSA-N
Molekylær formel C8H5NO4
13

1-nitropropan, 98 %, Thermo Scientific Chemicals

CAS: 108-03-2 Molekylær formel: C3H7NO2 Molekylvægt (g/mol): 89.094 MDL nummer: MFCD00007407 InChI nøgle: 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 navn: 1-nitropropan SMIL: CCC[N+](=O)[O-]

MDL nummer MFCD00007407
PubChem CID 7903
Molekylvægt (g/mol) 89.094
CAS 108-03-2
ChEBI CHEBI:76261
Synonym propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane
SMIL CCC[N+](=O)[O-]
IUPAC navn 1-nitropropan
InChI nøgle JSZOAYXJRCEYSX-UHFFFAOYSA-N
Molekylær formel C3H7NO2
14

Nitromethane, 98+%

CAS: 75-52-5 Molekylær formel: CH3NO2 Molekylvægt (g/mol): 61.04 MDL nummer: MFCD00007400 InChI nøgle: 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 navn: nitromethan SMIL: C[N+]([O-])=O

MDL nummer MFCD00007400
PubChem CID 6375
Molekylvægt (g/mol) 61.04
CAS 75-52-5
ChEBI CHEBI:77701
Synonym methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4
SMIL C[N+]([O-])=O
IUPAC navn nitromethan
InChI nøgle LYGJENNIWJXYER-UHFFFAOYSA-N
Molekylær formel CH3NO2