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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

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
2

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
3

7-nitroindol-2-carboxylsyre, 90%, Thermo Scientific™

CAS: 6960-45-8 Molekylær formel: C9H6N2O4 Molekylvægt (g/mol): 206.157 InChI nøgle: BIUCOFQROHIAEO-UHFFFAOYSA-N Synonym: 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro PubChem CID: 81409 SMIL: C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O

PubChem CID 81409
Molekylvægt (g/mol) 206.157
CAS 6960-45-8
Synonym 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro
SMIL C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
InChI nøgle BIUCOFQROHIAEO-UHFFFAOYSA-N
Molekylær formel C9H6N2O4
4

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
5

Ethyl 5-nitroindole-2-carboxylate, 95%

CAS: 16732-57-3 Molekylær formel: C11H10N2O4 Molekylvægt (g/mol): 234.21 MDL nummer: MFCD00216477 InChI nøgle: DVFJMQCNICEPAI-UHFFFAOYSA-N Synonym: ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7 PubChem CID: 280312 IUPAC navn: ethyl-5-nitro-lH-indol-2-carboxylat SMIL: CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O

MDL nummer MFCD00216477
PubChem CID 280312
Molekylvægt (g/mol) 234.21
CAS 16732-57-3
Synonym ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7
SMIL CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O
IUPAC navn ethyl-5-nitro-lH-indol-2-carboxylat
InChI nøgle DVFJMQCNICEPAI-UHFFFAOYSA-N
Molekylær formel C11H10N2O4
6

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
7

2,6-difluornitrobenzen, 98 %, Thermo Scientific™

CAS: 19064-24-5 Molekylær formel: C6H3F2NO2 Molekylvægt (g/mol): 159.09 MDL nummer: MFCD00192035 InChI nøgle: 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 navn: 1,3-difluor-2-nitrobenzen SMIL: C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

MDL nummer MFCD00192035
PubChem CID 87922
Molekylvægt (g/mol) 159.09
CAS 19064-24-5
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
SMIL C1=CC(=C(C(=C1)F)[N+](=O)[O-])F
IUPAC navn 1,3-difluor-2-nitrobenzen
InChI nøgle SSNCMIDZGFCTST-UHFFFAOYSA-N
Molekylær formel C6H3F2NO2
8

4-Nitrobenzonitrile, 97%

CAS: 619-72-7 Molekylær formel: C7H4N2O2 Molekylvægt (g/mol): 148.12 MDL nummer: MFCD00007279 InChI nøgle: 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 navn: 4-nitrobenzonitril SMIL: [O-][N+](=O)C1=CC=C(C=C1)C#N

MDL nummer MFCD00007279
PubChem CID 12090
Molekylvægt (g/mol) 148.12
CAS 619-72-7
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
SMIL [O-][N+](=O)C1=CC=C(C=C1)C#N
IUPAC navn 4-nitrobenzonitril
InChI nøgle NKJIFDNZPGLLSH-UHFFFAOYSA-N
Molekylær formel C7H4N2O2
9

Nitromethane, 99+%, for analysis

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
10

Nitrobenzene, 99%, Extra Pure

CAS: 98-95-3 Molekylær formel: C6H5NO2 Molekylvægt (g/mol): 123.11 MDL nummer: MFCD00007043 InChI nøgle: 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 navn: nitrobenzen SMIL: C1=CC=C(C=C1)[N+](=O)[O-]

MDL nummer MFCD00007043
PubChem CID 7416
Molekylvægt (g/mol) 123.11
CAS 98-95-3
ChEBI CHEBI:27798
Synonym nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene
SMIL C1=CC=C(C=C1)[N+](=O)[O-]
IUPAC navn nitrobenzen
InChI nøgle LQNUZADURLCDLV-UHFFFAOYSA-N
Molekylær formel C6H5NO2
11

2,4-Dichloro-5-nitropyrimidine, 97%

CAS: 49845-33-2 Molekylær formel: C4HCl2N3O2 Molekylvægt (g/mol): 193.97 MDL nummer: MFCD00127867 InChI nøgle: INUSQTPGSHFGHM-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-nitro-pyrimidine,pyrimidine, 2,4-dichloro-5-nitro,2, 4-dichloro-5-nitropyrimidine,3-nitro-2,4-dichloropyrimidine,2,4-dichloro-5-nitro pyrimidine,zlchem 540,pubchem7079,acmc-1ann4,ksc236i7h,2,4-dichloro5-nitropyrimidine PubChem CID: 521266 IUPAC navn: 2,4-dichlor-5-nitropyrimidin SMIL: [O-][N+](=O)C1=CN=C(Cl)N=C1Cl

MDL nummer MFCD00127867
PubChem CID 521266
Molekylvægt (g/mol) 193.97
CAS 49845-33-2
Synonym 2,4-dichloro-5-nitro-pyrimidine,pyrimidine, 2,4-dichloro-5-nitro,2, 4-dichloro-5-nitropyrimidine,3-nitro-2,4-dichloropyrimidine,2,4-dichloro-5-nitro pyrimidine,zlchem 540,pubchem7079,acmc-1ann4,ksc236i7h,2,4-dichloro5-nitropyrimidine
SMIL [O-][N+](=O)C1=CN=C(Cl)N=C1Cl
IUPAC navn 2,4-dichlor-5-nitropyrimidin
InChI nøgle INUSQTPGSHFGHM-UHFFFAOYSA-N
Molekylær formel C4HCl2N3O2
12

2-nitrobenzonitril, 98 %, Thermo Scientific Chemicals

CAS: 612-24-8 Molekylær formel: C7H4N2O2 Molekylvægt (g/mol): 148.12 MDL nummer: MFCD00007044 InChI nøgle: 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 navn: 2-nitrobenzonitril SMIL: [O-][N+](=O)C1=CC=CC=C1C#N

MDL nummer MFCD00007044
PubChem CID 11922
Molekylvægt (g/mol) 148.12
CAS 612-24-8
Synonym o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile
SMIL [O-][N+](=O)C1=CC=CC=C1C#N
IUPAC navn 2-nitrobenzonitril
InChI nøgle SWBDKCMOLSUXRH-UHFFFAOYSA-N
Molekylær formel C7H4N2O2
14
Kampagner er tilgængelige

Nitromethane, 96%, for HPLC
GREENER_CHOICE

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
15

3-Nitrophthalic anhydride, 97%

CAS: 641-70-3 Molekylær formel: C8H3NO5 Molekylvægt (g/mol): 193.11 MDL nummer: MFCD00005921 InChI nøgle: ROFZMKDROVBLNY-UHFFFAOYSA-N Synonym: 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride PubChem CID: 21631 IUPAC navn: 4-nitro-2-benzofuran-1,3-dion SMIL: [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O

MDL nummer MFCD00005921
PubChem CID 21631
Molekylvægt (g/mol) 193.11
CAS 641-70-3
Synonym 3-nitrophthalic anhydride,4-nitroisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-nitro,phthalic anhydride, 3-nitro,3-nitro phthalic anhydride,3-nitrophthalic acid anhydride,1,3-isobenzofurandione, nitro,4-nitro-isobenzofuran-1,3-dione,3-nitrophthalicanhydride,nitrophthalic anhydride
SMIL [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O
IUPAC navn 4-nitro-2-benzofuran-1,3-dion
InChI nøgle ROFZMKDROVBLNY-UHFFFAOYSA-N
Molekylær formel C8H3NO5