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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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

2-nitroimidazol, 98%

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

Pris og tilgængelighed
Tekniske data

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

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

4-nitroanilin, 98%

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-Nitro-p-phenylendiamin, 95%

CAS: 5307-14-2 Molekylær formel: C6H7N3O2 Molekylvægt (g/mol): 153.141 MDL nummer: MFCD00007903 InChI nøgle: HVHNMNGARPCGGD-UHFFFAOYSA-N Synonym: 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r PubChem CID: 4338370 ChEBI: CHEBI:76394 IUPAC navn: 2-nitrobenzen-1,4-diamin SMIL: C1=CC(=C(C=C1N)[N+](=O)[O-])N

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007903
PubChem CID	4338370
Molekylvægt (g/mol)	153.141
CAS	5307-14-2
ChEBI	CHEBI:76394
Synonym	2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r
SMIL	C1=CC(=C(C=C1N)[N+](=O)[O-])N
IUPAC navn	2-nitrobenzen-1,4-diamin
InChI nøgle	HVHNMNGARPCGGD-UHFFFAOYSA-N
Molekylær formel	C6H7N3O2

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

Pris og tilgængelighed
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

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

Tantal(V) methoxid

CAS: 865-35-0 Molekylær formel: C5H15O5Ta Molekylvægt (g/mol): 336.118 MDL nummer: MFCD00058817 InChI nøgle: QASMZJKUEABJNR-UHFFFAOYSA-N PubChem CID: 12787641 IUPAC navn: methanolat;tantal(5+) SMIL: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00058817
PubChem CID	12787641
Molekylvægt (g/mol)	336.118
CAS	865-35-0
SMIL	C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
IUPAC navn	methanolat;tantal(5+)
InChI nøgle	QASMZJKUEABJNR-UHFFFAOYSA-N
Molekylær formel	C5H15O5Ta

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

2-Amino-5-nitrobenzonitril, 95%

CAS: 17420-30-3 Molekylær formel: C7H5N3O2 Molekylvægt (g/mol): 163.136 MDL nummer: MFCD00007362 InChI nøgle: MGCGMYPNXAFGFA-UHFFFAOYSA-N Synonym: 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j PubChem CID: 28532 IUPAC navn: 2-amino-5-nitrobenzonitril SMIL: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007362
PubChem CID	28532
Molekylvægt (g/mol)	163.136
CAS	17420-30-3
Synonym	5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j
SMIL	C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
IUPAC navn	2-amino-5-nitrobenzonitril
InChI nøgle	MGCGMYPNXAFGFA-UHFFFAOYSA-N
Molekylær formel	C7H5N3O2

2-Klor-4-nitroanilin, 98+%

CAS: 121-87-9 Molekylær formel: C6H5ClN2O2 Molekylvægt (g/mol): 172.568 MDL nummer: MFCD00007665 InChI nøgle: LOCWBQIWHWIRGN-UHFFFAOYSA-N Synonym: ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline PubChem CID: 8492 IUPAC navn: 2-chlor-4-nitroanilin SMIL: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD00007665
PubChem CID	8492
Molekylvægt (g/mol)	172.568
CAS	121-87-9
Synonym	ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline
SMIL	C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
IUPAC navn	2-chlor-4-nitroanilin
InChI nøgle	LOCWBQIWHWIRGN-UHFFFAOYSA-N
Molekylær formel	C6H5ClN2O2

4-klor-5-nitro-o-phenylendiamin, 98%

CAS: 67073-39-6 Molekylær formel: C6H6ClN3O2 Molekylvægt (g/mol): 187.58 MDL nummer: MFCD03427594 InChI nøgle: LOQLMWFVXRZASN-UHFFFAOYSA-N Synonym: 4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro PubChem CID: 5702618 IUPAC navn: 4-chlor-5-nitrobenzen-1,2-diamin SMIL: NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O

Pris og tilgængelighed
Tekniske data

MDL nummer	MFCD03427594
PubChem CID	5702618
Molekylvægt (g/mol)	187.58
CAS	67073-39-6
Synonym	4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro
SMIL	NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O
IUPAC navn	4-chlor-5-nitrobenzen-1,2-diamin
InChI nøgle	LOQLMWFVXRZASN-UHFFFAOYSA-N
Molekylær formel	C6H6ClN3O2

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

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

Pris og tilgængelighed
Tekniske data

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

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Organiske zwitterioner

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