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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

8-Nitroquinoline, 98%

CAS: 607-35-2 Molekylær formel: C9H6N2O2 Molekylvægt (g/mol): 174.159 MDL nummer: MFCD00006806 InChI nøgle: 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 navn: 8-nitroquinolin SMIL: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

MDL nummer MFCD00006806
PubChem CID 11830
Molekylvægt (g/mol) 174.159
CAS 607-35-2
Synonym quinoline, 8-nitro,unii-ywo6s88v4v,ccris 457,ywo6s88v4v,8-nitroqunioline,4msn,8-nitro-quinoline,gilstone-yellow,zlchem 249,pubchem5825
SMIL C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
IUPAC navn 8-nitroquinolin
InChI nøgle OQHHSGRZCKGLCY-UHFFFAOYSA-N
Molekylær formel C9H6N2O2
2

Ethyl 4-nitroindole-2-carboxylate, 97%

CAS: 4993-93-5 Molekylær formel: C11H10N2O4 Molekylvægt (g/mol): 234.211 MDL nummer: MFCD06795512 InChI nøgle: LXUABEANNNKOLF-UHFFFAOYSA-N Synonym: ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester PubChem CID: 283173 IUPAC navn: ethyl-4-nitro-lH-indol-2-carboxylat SMIL: CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]

MDL nummer MFCD06795512
PubChem CID 283173
Molekylvægt (g/mol) 234.211
CAS 4993-93-5
Synonym ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester
SMIL CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]
IUPAC navn ethyl-4-nitro-lH-indol-2-carboxylat
InChI nøgle LXUABEANNNKOLF-UHFFFAOYSA-N
Molekylær formel C11H10N2O4
3

1-Chloro-4-nitrobenzene, 98+%

CAS: 100-00-5 Molekylær formel: C6H4ClNO2 Molekylvægt (g/mol): 157.553 MDL nummer: MFCD00007285 InChI nøgle: 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 navn: 1-chlor-4-nitrobenzen SMIL: C1=CC(=CC=C1[N+](=O)[O-])Cl

MDL nummer MFCD00007285
PubChem CID 7474
Molekylvægt (g/mol) 157.553
CAS 100-00-5
ChEBI CHEBI:34399
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
SMIL C1=CC(=CC=C1[N+](=O)[O-])Cl
IUPAC navn 1-chlor-4-nitrobenzen
InChI nøgle CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molekylær formel C6H4ClNO2
4

Ethyl 6-nitroindole-2-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 16792-45-3 Molekylær formel: C11H10N2O4 Molekylvægt (g/mol): 234.21 MDL nummer: MFCD04973967 InChI nøgle: SOMZLSPJSSDTAP-UHFFFAOYSA-N Synonym: ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester PubChem CID: 616444 IUPAC navn: ethyl-6-nitro-lH-indol-2-carboxylat SMIL: CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O

MDL nummer MFCD04973967
PubChem CID 616444
Molekylvægt (g/mol) 234.21
CAS 16792-45-3
Synonym ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester
SMIL CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O
IUPAC navn ethyl-6-nitro-lH-indol-2-carboxylat
InChI nøgle SOMZLSPJSSDTAP-UHFFFAOYSA-N
Molekylær formel C11H10N2O4
5

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
6

2-nitrobenzensulfenylchlorid, 97 %, Thermo Scientific Chemicals

CAS: 7669-54-7 Molekylær formel: C6H4ClNO2S Molekylvægt (g/mol): 189.613 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) 189.613
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
7

6-Cyano-7-nitro-1,4-dihydroquinoxaline-2,3-dione, 98%

CAS: 115066-14-3 Molekylær formel: C9H4N4O4 Molekylvægt (g/mol): 232.155 MDL nummer: MFCD00069232 InChI nøgle: RPXVIAFEQBNEAX-UHFFFAOYSA-N Synonym: cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile PubChem CID: 3721046 ChEBI: CHEBI:34468 IUPAC navn: 7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-carbonitril SMIL: C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

MDL nummer MFCD00069232
PubChem CID 3721046
Molekylvægt (g/mol) 232.155
CAS 115066-14-3
ChEBI CHEBI:34468
Synonym cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile
SMIL C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
IUPAC navn 7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-carbonitril
InChI nøgle RPXVIAFEQBNEAX-UHFFFAOYSA-N
Molekylær formel C9H4N4O4
8

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
9

4-Nitrophenyl formate, 98%

CAS: 1865-01-6 Molekylær formel: C7H5NO4 Molekylvægt (g/mol): 167.12 MDL nummer: MFCD00014713 InChI nøgle: IEXRKQFZXJSHOB-UHFFFAOYSA-N PubChem CID: 74628 IUPAC navn: (4-nitrophenyl)-formiat SMIL: C1=CC(=CC=C1[N+](=O)[O-])OC=O

MDL nummer MFCD00014713
PubChem CID 74628
Molekylvægt (g/mol) 167.12
CAS 1865-01-6
SMIL C1=CC(=CC=C1[N+](=O)[O-])OC=O
IUPAC navn (4-nitrophenyl)-formiat
InChI nøgle IEXRKQFZXJSHOB-UHFFFAOYSA-N
Molekylær formel C7H5NO4
10

6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione, Thermo Scientific™

CAS: 2379-57-9 Molekylær formel: C8H4N4O6 Molekylvægt (g/mol): 252.14 MDL nummer: MFCD00069257 InChI nøgle: RWVIMCIPOAXUDG-UHFFFAOYSA-N Synonym: dnqx,unii-62t278s1mx,6,7-dinitroquinoxaline-2,3-dione dnqx,2,3-quinoxalinedione, 1,4-dihydro-6,7-dinitro,6,7-dinitroquinoxaline-2,3-diol,6,7-dinitro-1,4-dihydro-quinoxaline-2,3-dione,6,7-dinitroquinoxaline-2,3 1h,4h-dione,1ftl,tocris-0189,lopac-d-0540 PubChem CID: 3899541 IUPAC navn: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione SMIL: [O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O

MDL nummer MFCD00069257
PubChem CID 3899541
Molekylvægt (g/mol) 252.14
CAS 2379-57-9
Synonym dnqx,unii-62t278s1mx,6,7-dinitroquinoxaline-2,3-dione dnqx,2,3-quinoxalinedione, 1,4-dihydro-6,7-dinitro,6,7-dinitroquinoxaline-2,3-diol,6,7-dinitro-1,4-dihydro-quinoxaline-2,3-dione,6,7-dinitroquinoxaline-2,3 1h,4h-dione,1ftl,tocris-0189,lopac-d-0540
SMIL [O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O
IUPAC navn 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
InChI nøgle RWVIMCIPOAXUDG-UHFFFAOYSA-N
Molekylær formel C8H4N4O6
11

3,4-dichlornitrobenzen, 95 %, Thermo Scientific™

CAS: 99-54-7 Molekylær formel: C6H3Cl2NO2 Molekylvægt (g/mol): 192.00 MDL nummer: MFCD00007207 InChI nøgle: 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 navn: 1,2-dichloro-4-nitrobenzene SMIL: [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1

MDL nummer MFCD00007207
PubChem CID 7443
Molekylvægt (g/mol) 192.00
CAS 99-54-7
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
SMIL [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1
IUPAC navn 1,2-dichloro-4-nitrobenzene
InChI nøgle NTBYINQTYWZXLH-UHFFFAOYSA-N
Molekylær formel C6H3Cl2NO2