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Organiske zwitterioner

Organiske zwitterioner (fra tysk Zwitter betyder hermafrodit) er organiske molekyler, der indeholder det samme antal positivt ladede funktionelle grupper og negativt ladede funktionelle grupper; også kaldet indre salte.

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1

Zirconium(IV) n-propoxid, 70% w/w i n-propanol, pakket under argon i genlukkelig ChemSeal™ flasker, Thermo Scientific Chemicals

CAS: 23519-77-9 Molekylær formel: C12H28O4Zr Molekylvægt (g/mol): 327.58 MDL nummer: MFCD00015307 InChI nøgle: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 IUPAC navn: propan-1-olat;zirconium(4+) SMIL: CCCO[Zr](OCCC)(OCCC)OCCC

MDL nummer MFCD00015307
PubChem CID 90139
Molekylvægt (g/mol) 327.58
CAS 23519-77-9
Synonym zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
SMIL CCCO[Zr](OCCC)(OCCC)OCCC
IUPAC navn propan-1-olat;zirconium(4+)
InChI nøgle XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molekylær formel C12H28O4Zr
2

GW 9662, Thermo Scientific Chemicals

CAS: 22978-25-2 Molekylær formel: C13H9ClN2O3 Molekylvægt (g/mol): 276.676 MDL nummer: MFCD01215270 InChI nøgle: DNTSIBUQMRRYIU-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723 PubChem CID: 644213 ChEBI: CHEBI:79993 IUPAC navn: 2-chlor-5-nitro-N-phenylbenzamid SMIL: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

MDL nummer MFCD01215270
PubChem CID 644213
Molekylvægt (g/mol) 276.676
CAS 22978-25-2
ChEBI CHEBI:79993
Synonym 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723
SMIL C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
IUPAC navn 2-chlor-5-nitro-N-phenylbenzamid
InChI nøgle DNTSIBUQMRRYIU-UHFFFAOYSA-N
Molekylær formel C13H9ClN2O3
3

2-nitro-1-propanol, 97 %, Thermo Scientific Chemicals

CAS: 2902-96-7 Molekylær formel: C3H7NO3 Molekylvægt (g/mol): 105.09 MDL nummer: MFCD00007398 InChI nøgle: PCNWBUOSTLGPMI-UHFFFAOYNA-N Synonym: 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci PubChem CID: 92187 IUPAC navn: 2-nitropropan-1-ol SMIL: CC(CO)[N+]([O-])=O

MDL nummer MFCD00007398
PubChem CID 92187
Molekylvægt (g/mol) 105.09
CAS 2902-96-7
Synonym 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci
SMIL CC(CO)[N+]([O-])=O
IUPAC navn 2-nitropropan-1-ol
InChI nøgle PCNWBUOSTLGPMI-UHFFFAOYNA-N
Molekylær formel C3H7NO3
4

2-nitro-2-methyl-1,3-propandiol, 99 %, Thermo Scientific Chemicals

CAS: 77-49-6 Molekylær formel: C4H9NO4 Molekylvægt (g/mol): 135.12 MDL nummer: MFCD00024812 InChI nøgle: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC navn: 2-methyl-2-nitropropan-1,3-diol SMIL: CC(CO)(CO)[N+]([O-])=O

MDL nummer MFCD00024812
PubChem CID 6480
Molekylvægt (g/mol) 135.12
CAS 77-49-6
Synonym 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy
SMIL CC(CO)(CO)[N+]([O-])=O
IUPAC navn 2-methyl-2-nitropropan-1,3-diol
InChI nøgle LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molekylær formel C4H9NO4
5

5-Nitrobenzimidazole, 98+%

CAS: 94-52-0 Molekylær formel: C7H5N3O2 Molekylvægt (g/mol): 163.14 MDL nummer: MFCD00005604 InChI nøgle: XPAZGLFMMUODDK-UHFFFAOYSA-N Synonym: 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro PubChem CID: 7195 IUPAC navn: 6-nitro-lH-benzimidazol SMIL: [O-][N+](=O)C1=CC=C2N=CNC2=C1

MDL nummer MFCD00005604
PubChem CID 7195
Molekylvægt (g/mol) 163.14
CAS 94-52-0
Synonym 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro
SMIL [O-][N+](=O)C1=CC=C2N=CNC2=C1
IUPAC navn 6-nitro-lH-benzimidazol
InChI nøgle XPAZGLFMMUODDK-UHFFFAOYSA-N
Molekylær formel C7H5N3O2
6

Tris(hydroxymethyl)nitromethan, 95 %, Thermo Scientific Chemicals

CAS: 126-11-4 Molekylær formel: C4H9NO5 Molekylvægt (g/mol): 151.12 MDL nummer: MFCD00007395 InChI nøgle: OLQJQHSAWMFDJE-UHFFFAOYSA-N Synonym: tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro PubChem CID: 31337 IUPAC navn: 2-(hydroxymethyl)-2-nitropropan-1,3-diol SMIL: OCC(CO)(CO)[N+]([O-])=O

MDL nummer MFCD00007395
PubChem CID 31337
Molekylvægt (g/mol) 151.12
CAS 126-11-4
Synonym tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro
SMIL OCC(CO)(CO)[N+]([O-])=O
IUPAC navn 2-(hydroxymethyl)-2-nitropropan-1,3-diol
InChI nøgle OLQJQHSAWMFDJE-UHFFFAOYSA-N
Molekylær formel C4H9NO5
7

2-Nitroethanol, tech. 80%

CAS: 625-48-9 Molekylær formel: C2H5NO3 Molekylvægt (g/mol): 91.066 MDL nummer: MFCD00007405 InChI nøgle: KIPMDPDAFINLIV-UHFFFAOYSA-N Synonym: ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol PubChem CID: 12252 IUPAC navn: 2-nitroethanol SMIL: C(CO)[N+](=O)[O-]

MDL nummer MFCD00007405
PubChem CID 12252
Molekylvægt (g/mol) 91.066
CAS 625-48-9
Synonym ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
SMIL C(CO)[N+](=O)[O-]
IUPAC navn 2-nitroethanol
InChI nøgle KIPMDPDAFINLIV-UHFFFAOYSA-N
Molekylær formel C2H5NO3
8

3-(4-nitrophenyl)-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 20583-31-7 Molekylær formel: C9H7N3O2 Molekylvægt (g/mol): 189.17 MDL nummer: MFCD00665859 InChI nøgle: IPIYADCDDIUVPS-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole PubChem CID: 2737071 IUPAC navn: 5-(4-nitrophenyl)-1H-pyrazol SMIL: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1

MDL nummer MFCD00665859
PubChem CID 2737071
Molekylvægt (g/mol) 189.17
CAS 20583-31-7
Synonym 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole
SMIL [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1
IUPAC navn 5-(4-nitrophenyl)-1H-pyrazol
InChI nøgle IPIYADCDDIUVPS-UHFFFAOYSA-N
Molekylær formel C9H7N3O2
9

5-(4-Nitrophenyl)-1H-tetrazole, 97%

CAS: 16687-60-8 Molekylær formel: C7H5N5O2 Molekylvægt (g/mol): 191.15 MDL nummer: MFCD00068729 InChI nøgle: MIUOBAHGBPSRKY-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31 PubChem CID: 285163 IUPAC navn: 5-(4-nitrophenyl)-2H-tetrazol SMIL: [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1

MDL nummer MFCD00068729
PubChem CID 285163
Molekylvægt (g/mol) 191.15
CAS 16687-60-8
Synonym 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31
SMIL [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1
IUPAC navn 5-(4-nitrophenyl)-2H-tetrazol
InChI nøgle MIUOBAHGBPSRKY-UHFFFAOYSA-N
Molekylær formel C7H5N5O2
10

2-nitroimidazol, 98 %, Thermo Scientific Chemicals

CAS: 527-73-1 Molekylær formel: C3H3N3O2 Molekylvægt (g/mol): 113.08 MDL nummer: MFCD00005185 InChI nøgle: YZEUHQHUFTYLPH-UHFFFAOYSA-N Synonym: 2-nitroimidazole,azomycin,amicin,nitroimidazole,1h-imidazole, 2-nitro,imidazole, 2-nitro,2-nitroimidazol,2-nitro-imidazole,unii-k8e96xl55d,azomycin 2-nitroimidazole PubChem CID: 10701 ChEBI: CHEBI:67135 IUPAC navn: 2-nitro-lH-imidazol SMIL: [O-][N+](=O)C1=NC=CN1

MDL nummer MFCD00005185
PubChem CID 10701
Molekylvægt (g/mol) 113.08
CAS 527-73-1
ChEBI CHEBI:67135
Synonym 2-nitroimidazole,azomycin,amicin,nitroimidazole,1h-imidazole, 2-nitro,imidazole, 2-nitro,2-nitroimidazol,2-nitro-imidazole,unii-k8e96xl55d,azomycin 2-nitroimidazole
SMIL [O-][N+](=O)C1=NC=CN1
IUPAC navn 2-nitro-lH-imidazol
InChI nøgle YZEUHQHUFTYLPH-UHFFFAOYSA-N
Molekylær formel C3H3N3O2
11

4-fluor-5-nitrobenzen-1,2-diamin, teknisk kvalitet, Thermo Scientific™

CAS: 113269-06-0 Molekylær formel: C6H6FN3O2 Molekylvægt (g/mol): 171.131 InChI nøgle: QZNALIMEKAACKP-UHFFFAOYSA-N PubChem CID: 3782733 IUPAC navn: 4-fluor-5-nitrobenzen-1,2-diamin SMIL: C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N

PubChem CID 3782733
Molekylvægt (g/mol) 171.131
CAS 113269-06-0
SMIL C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N
IUPAC navn 4-fluor-5-nitrobenzen-1,2-diamin
InChI nøgle QZNALIMEKAACKP-UHFFFAOYSA-N
Molekylær formel C6H6FN3O2
12

3-Nitro-o-phenylenediamine, 98%

CAS: 3694-52-8 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.14 MDL nummer: MFCD00007722 InChI nøgle: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC navn: 3-nitrobenzen-1,2-diamin SMIL: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

MDL nummer MFCD00007722
PubChem CID 4359525
Molekylvægt (g/mol) 153.14
CAS 3694-52-8
Synonym 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427
SMIL C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
IUPAC navn 3-nitrobenzen-1,2-diamin
InChI nøgle IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molekylær formel C6H7N3O2
13

2-methyl-2-nitro-1,3-propandiol, 97 %, Thermo Scientific Chemicals

CAS: 77-49-6 Molekylær formel: C4H9NO4 Molekylvægt (g/mol): 135.12 MDL nummer: MFCD00024812 InChI nøgle: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC navn: 2-methyl-2-nitropropan-1,3-diol SMIL: CC(CO)(CO)[N+]([O-])=O

MDL nummer MFCD00024812
PubChem CID 6480
Molekylvægt (g/mol) 135.12
CAS 77-49-6
Synonym 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy
SMIL CC(CO)(CO)[N+]([O-])=O
IUPAC navn 2-methyl-2-nitropropan-1,3-diol
InChI nøgle LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molekylær formel C4H9NO4
14
Kampagner er tilgængelige

Zirconium(IV)propoxid, ca. 70%, opløsning i 1-propanol, AcroSeal™ , Thermo Scientific Chemicals

CAS: 23519-77-9 Molekylær formel: C12H28O4Zr Molekylvægt (g/mol): 327.58 MDL nummer: MFCD00015307 InChI nøgle: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 SMIL: CCCO[Zr](OCCC)(OCCC)OCCC

MDL nummer MFCD00015307
PubChem CID 90139
Molekylvægt (g/mol) 327.58
CAS 23519-77-9
Synonym zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
SMIL CCCO[Zr](OCCC)(OCCC)OCCC
InChI nøgle XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molekylær formel C12H28O4Zr
15

2,6-Dichloro-4-nitroaniline, 95%

CAS: 99-30-9 Molekylær formel: C6H4Cl2N2O2 Molekylvægt (g/mol): 207.01 MDL nummer: MFCD00007677 InChI nøgle: BIXZHMJUSMUDOQ-UHFFFAOYSA-N Synonym: dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide PubChem CID: 7430 ChEBI: CHEBI:27864 IUPAC navn: 2,6-dichlor-4-nitroanilin SMIL: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

MDL nummer MFCD00007677
PubChem CID 7430
Molekylvægt (g/mol) 207.01
CAS 99-30-9
ChEBI CHEBI:27864
Synonym dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide
SMIL C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
IUPAC navn 2,6-dichlor-4-nitroanilin
InChI nøgle BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molekylær formel C6H4Cl2N2O2