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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Zirkonium(IV) propoxid, ca. 70%, opløsning i 1-propanol, AcroSeal™

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

Pris og tilgængelighed
Tekniske data

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

Titanium(IV) isopropoxid, 98+%

CAS: 546-68-9 Molekylær formel: C₁₂H₂₈O₄Ti Molekylvægt (g/mol): 284.26 InChI nøgle: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC navn: propan-2-olat;titanium(4+) SMIL: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

Pris og tilgængelighed
Tekniske data

PubChem CID	11026
Molekylvægt (g/mol)	284.26
CAS	546-68-9
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
SMIL	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
IUPAC navn	propan-2-olat;titanium(4+)
InChI nøgle	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molekylær formel	C₁₂H₂₈O₄Ti

Titanium(IV) isopropoxid, 95%

CAS: 546-68-9 Molekylær formel: C12H28O4Ti Molekylvægt (g/mol): 284.219 MDL nummer: MFCD00008871 InChI nøgle: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC navn: propan-2-olat;titanium(4+) SMIL: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00008871
PubChem CID	11026
Molekylvægt (g/mol)	284.219
CAS	546-68-9
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
SMIL	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
IUPAC navn	propan-2-olat;titanium(4+)
InChI nøgle	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molekylær formel	C12H28O4Ti

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

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Tekniske data

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

4-nitroanilin, 99%

CAS: 100-01-6 Molekylær formel: C6H6N2O2 Molekylvægt (g/mol): 138.13 MDL nummer: MFCD00007858 InChI nøgle: TYMLOMAKGOJONV-UHFFFAOYSA-N Synonym: p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p PubChem CID: 7475 ChEBI: CHEBI:17064 IUPAC navn: 4-nitroanilin SMIL: NC1=CC=C(C=C1)[N+]([O-])=O

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007858
PubChem CID	7475
Molekylvægt (g/mol)	138.13
CAS	100-01-6
ChEBI	CHEBI:17064
Synonym	p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p
SMIL	NC1=CC=C(C=C1)[N+]([O-])=O
IUPAC navn	4-nitroanilin
InChI nøgle	TYMLOMAKGOJONV-UHFFFAOYSA-N
Molekylær formel	C6H6N2O2

2-nitroanilin, 98%

CAS: 88-74-4 Molekylær formel: C₆H₆N₂O₂ Molekylvægt (g/mol): 138.13 MDL nummer: MFCD00007687 InChI nøgle: DPJCXCZTLWNFOH-UHFFFAOYSA-N Synonym: o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene PubChem CID: 6946 IUPAC navn: 2-nitroanilin SMIL: C1=CC=C(C(=C1)N)[N+](=O)[O-]

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007687
PubChem CID	6946
Molekylvægt (g/mol)	138.13
CAS	88-74-4
Synonym	o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene
SMIL	C1=CC=C(C(=C1)N)[N+](=O)[O-]
IUPAC navn	2-nitroanilin
InChI nøgle	DPJCXCZTLWNFOH-UHFFFAOYSA-N
Molekylær formel	C₆H₆N₂O₂

Titanium(IV) ethoxid

CAS: 3087-36-3 Molekylær formel: C₈H₂₀O₄Ti Molekylvægt (g/mol): 228.15 MDL nummer: MFCD00009071 InChI nøgle: JMXKSZRRTHPKDL-UHFFFAOYSA-N Synonym: titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate PubChem CID: 76524 IUPAC navn: ethanolat; titanium(4+) SMIL: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00009071
PubChem CID	76524
Molekylvægt (g/mol)	228.15
CAS	3087-36-3
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
SMIL	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
IUPAC navn	ethanolat; titanium(4+)
InChI nøgle	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molekylær formel	C₈H₂₀O₄Ti

Tris(hydroxymethyl)nitromethan, 95%

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

Pris og tilgængelighed
Tekniske data

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

2-[(5-nitro-2-pyridyl)oxy]ethan-1-ol, 97 %, Thermo Scientific™

CAS: 143071-39-0 Molekylær formel: C7H8N2O4 Molekylvægt (g/mol): 184.151 MDL nummer: MFCD00052642 InChI nøgle: KESQFSZFUCZCEI-UHFFFAOYSA-N Synonym: 2-5-nitropyridin-2-yloxy ethanol,2-5-nitro-2-pyridyloxy ethanol,2-5-nitropyridin-2-yl oxy ethan-1-ol,2-5-nitro-2-pyridyl oxy ethan-1-ol,2-2-hydroxyethoxy-5-nitropyridine,2-5-nitropyridin-2-yl oxy ethanol,2-5-nitro-2-pyridyloxy ethan-1-ol,acmc-209xhf,maybridge1_002682,2-5-nitropyridin-2-yl oxyethanol PubChem CID: 587937 IUPAC navn: 2-(5-nitropyridin-2-yl)oxyethanol SMIL: C1=CC(=NC=C1[N+](=O)[O-])OCCO

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00052642
PubChem CID	587937
Molekylvægt (g/mol)	184.151
CAS	143071-39-0
Synonym	2-5-nitropyridin-2-yloxy ethanol,2-5-nitro-2-pyridyloxy ethanol,2-5-nitropyridin-2-yl oxy ethan-1-ol,2-5-nitro-2-pyridyl oxy ethan-1-ol,2-2-hydroxyethoxy-5-nitropyridine,2-5-nitropyridin-2-yl oxy ethanol,2-5-nitro-2-pyridyloxy ethan-1-ol,acmc-209xhf,maybridge1_002682,2-5-nitropyridin-2-yl oxyethanol
SMIL	C1=CC(=NC=C1[N+](=O)[O-])OCCO
IUPAC navn	2-(5-nitropyridin-2-yl)oxyethanol
InChI nøgle	KESQFSZFUCZCEI-UHFFFAOYSA-N
Molekylær formel	C7H8N2O4

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-]

Pris og tilgængelighed
Tekniske data

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

2-nitroethanol, 97%

CAS: 625-48-9 Molekylær formel: C₂H₅NO₃ Molekylvægt (g/mol): 91.07 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-]

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007405
PubChem CID	12252
Molekylvægt (g/mol)	91.07
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

4-Brom-2-nitroanilin, 98%

CAS: 875-51-4 Molekylær formel: C6H5BrN2O2 Molekylvægt (g/mol): 217.02 MDL nummer: MFCD00041312 InChI nøgle: ZCWBZRBJSPWUPG-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline PubChem CID: 70132 IUPAC navn: 4-brom-2-nitroanilin SMIL: NC1=CC=C(Br)C=C1[N+]([O-])=O

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00041312
PubChem CID	70132
Molekylvægt (g/mol)	217.02
CAS	875-51-4
Synonym	benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline
SMIL	NC1=CC=C(Br)C=C1[N+]([O-])=O
IUPAC navn	4-brom-2-nitroanilin
InChI nøgle	ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Molekylær formel	C6H5BrN2O2

5-klor-4-fluor-2-nitroanilin, 97%

CAS: 104222-34-6 Molekylær formel: C6H4ClFN2O2 Molekylvægt (g/mol): 190.558 MDL nummer: MFCD00052698 InChI nøgle: VRJKEIWZSOHDOH-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline PubChem CID: 517835 IUPAC navn: 5-chlor-4-fluor-2-nitroanilin SMIL: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00052698
PubChem CID	517835
Molekylvægt (g/mol)	190.558
CAS	104222-34-6
Synonym	2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline
SMIL	C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N
IUPAC navn	5-chlor-4-fluor-2-nitroanilin
InChI nøgle	VRJKEIWZSOHDOH-UHFFFAOYSA-N
Molekylær formel	C6H4ClFN2O2

3-Nitro-o-phenylendiamin, 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

Pris og tilgængelighed
Tekniske data

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

5-Fluoro-2-nitroanilin, 97%

CAS: 2369-11-1 Molekylær formel: C6H5FN2O2 Molekylvægt (g/mol): 156.12 MDL nummer: MFCD00034065 InChI nøgle: PEDMFCHWOVJDNW-UHFFFAOYSA-N IUPAC navn: 5-fluor-2-nitroanilin

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00034065
Molekylvægt (g/mol)	156.12
CAS	2369-11-1
IUPAC navn	5-fluor-2-nitroanilin
InChI nøgle	PEDMFCHWOVJDNW-UHFFFAOYSA-N
Molekylær formel	C6H5FN2O2

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Organiske zwitterioner

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