Organic zwitterions

Organic zwitterions (from the German Zwitter meaning hermaphrodite) are organic molecules that contain the same number of positively charged functional groups and negatively charged functional groups; also called inner salts.

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Titanium(IV) isopropoxide, 98+%

CAS: 546-68-9 Molecular Formula: C₁₂H₂₈O₄Ti Molecular Weight (g/mol): 284.26 InChI Key: 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 Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

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Specifications

PubChem CID	11026
CAS	546-68-9
Molecular Weight (g/mol)	284.26
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₈O₄Ti

4-Nitroaniline, 99%

CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007858 InChI Key: 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 Name: 4-nitroaniline SMILES: NC1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	7475
CAS	100-01-6
Molecular Weight (g/mol)	138.13
ChEBI	CHEBI:17064
MDL Number	MFCD00007858
SMILES	NC1=CC=C(C=C1)[N+]([O-])=O
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
IUPAC Name	4-nitroaniline
InChI Key	TYMLOMAKGOJONV-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

2-Nitro-p-phenylenediamine, 95%

CAS: 5307-14-2 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00007903 InChI Key: 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 Name: 2-nitrobenzene-1,4-diamine SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])N

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Specifications

PubChem CID	4338370
CAS	5307-14-2
Molecular Weight (g/mol)	153.141
ChEBI	CHEBI:76394
MDL Number	MFCD00007903
SMILES	C1=CC(=C(C=C1N)[N+](=O)[O-])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
IUPAC Name	2-nitrobenzene-1,4-diamine
InChI Key	HVHNMNGARPCGGD-UHFFFAOYSA-N
Molecular Formula	C6H7N3O2

2-Nitro-2-methyl-1,3-propanediol, 99%, Thermo Scientific Chemicals

CAS: 77-49-6 Molecular Formula: C4H9NO4 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00024812 InChI Key: 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 Name: 2-methyl-2-nitropropane-1,3-diol SMILES: CC(CO)(CO)[N+]([O-])=O

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Specifications

PubChem CID	6480
CAS	77-49-6
Molecular Weight (g/mol)	135.12
MDL Number	MFCD00024812
SMILES	CC(CO)(CO)[N+]([O-])=O
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
IUPAC Name	2-methyl-2-nitropropane-1,3-diol
InChI Key	LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molecular Formula	C4H9NO4

Titanium(IV) ethoxide

CAS: 3087-36-3 Molecular Formula: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 MDL Number: MFCD00009071 InChI Key: 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 Name: ethanolate;titanium(4+) SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

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Specifications

PubChem CID	76524
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
MDL Number	MFCD00009071
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molecular Formula	C₈H₂₀O₄Ti

2-Chloro-4-nitroaniline, 98+%

CAS: 121-87-9 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007665 InChI Key: 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 Name: 2-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

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Specifications

PubChem CID	8492
CAS	121-87-9
Molecular Weight (g/mol)	172.568
MDL Number	MFCD00007665
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)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
IUPAC Name	2-chloro-4-nitroaniline
InChI Key	LOCWBQIWHWIRGN-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

Iron(III) isopropoxide, 98%

CAS: 14995-22-3 Molecular Formula: C9H21FeO3 Molecular Weight (g/mol): 233.109 MDL Number: MFCD00070436 InChI Key: QUHDSMAREWXWFM-UHFFFAOYSA-N Synonym: iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe PubChem CID: 11961763 IUPAC Name: iron(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]

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Specifications

PubChem CID	11961763
CAS	14995-22-3
Molecular Weight (g/mol)	233.109
MDL Number	MFCD00070436
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
Synonym	iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe
IUPAC Name	iron(3+);propan-2-olate
InChI Key	QUHDSMAREWXWFM-UHFFFAOYSA-N
Molecular Formula	C9H21FeO3

2-Nitroethanol, 97%

CAS: 625-48-9 Molecular Formula: C₂H₅NO₃ Molecular Weight (g/mol): 91.07 MDL Number: MFCD00007405 InChI Key: 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 Name: 2-nitroethanol SMILES: C(CO)[N+](=O)[O-]

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Specifications

PubChem CID	12252
CAS	625-48-9
Molecular Weight (g/mol)	91.07
MDL Number	MFCD00007405
SMILES	C(CO)[N+](=O)[O-]
Synonym	ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
IUPAC Name	2-nitroethanol
InChI Key	KIPMDPDAFINLIV-UHFFFAOYSA-N
Molecular Formula	C₂H₅NO₃

2-Nitroethanol, tech. 80%

CAS: 625-48-9 Molecular Formula: C2H5NO3 Molecular Weight (g/mol): 91.066 MDL Number: MFCD00007405 InChI Key: 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 Name: 2-nitroethanol SMILES: C(CO)[N+](=O)[O-]

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Specifications

PubChem CID	12252
CAS	625-48-9
Molecular Weight (g/mol)	91.066
MDL Number	MFCD00007405
SMILES	C(CO)[N+](=O)[O-]
Synonym	ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
IUPAC Name	2-nitroethanol
InChI Key	KIPMDPDAFINLIV-UHFFFAOYSA-N
Molecular Formula	C2H5NO3

5-Fluoro-2-nitroaniline, 97%

CAS: 2369-11-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00034065 InChI Key: PEDMFCHWOVJDNW-UHFFFAOYSA-N IUPAC Name: 5-fluoro-2-nitroaniline

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Specifications

CAS	2369-11-1
Molecular Weight (g/mol)	156.12
MDL Number	MFCD00034065
IUPAC Name	5-fluoro-2-nitroaniline
InChI Key	PEDMFCHWOVJDNW-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O2

2-Amino-5-nitrobenzonitrile, 95%

CAS: 17420-30-3 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00007362 InChI Key: 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 Name: 2-amino-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

Pricing and Availability
Specifications

PubChem CID	28532
CAS	17420-30-3
Molecular Weight (g/mol)	163.136
MDL Number	MFCD00007362
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C#N)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
IUPAC Name	2-amino-5-nitrobenzonitrile
InChI Key	MGCGMYPNXAFGFA-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

5-Chloro-4-fluoro-2-nitroaniline, 97%

CAS: 104222-34-6 Molecular Formula: C6H4ClFN2O2 Molecular Weight (g/mol): 190.558 MDL Number: MFCD00052698 InChI Key: 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 Name: 5-chloro-4-fluoro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N

Pricing and Availability
Specifications

PubChem CID	517835
CAS	104222-34-6
Molecular Weight (g/mol)	190.558
MDL Number	MFCD00052698
SMILES	C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])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
IUPAC Name	5-chloro-4-fluoro-2-nitroaniline
InChI Key	VRJKEIWZSOHDOH-UHFFFAOYSA-N
Molecular Formula	C6H4ClFN2O2

Titanium(IV) ethoxide, 33-35% TiO2

CAS: 3087-36-3 Molecular Formula: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 InChI Key: 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 Name: ethanolate;titanium(4+) SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

Pricing and Availability
Specifications

PubChem CID	76524
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molecular Formula	C₈H₂₀O₄Ti

Tris(hydroxymethyl)nitromethane, 95%

CAS: 126-11-4 Molecular Formula: C4H9NO5 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007395 InChI Key: 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 Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol SMILES: OCC(CO)(CO)[N+]([O-])=O

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Specifications

PubChem CID	31337
CAS	126-11-4
Molecular Weight (g/mol)	151.12
MDL Number	MFCD00007395
SMILES	OCC(CO)(CO)[N+]([O-])=O
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
IUPAC Name	2-(hydroxymethyl)-2-nitropropane-1,3-diol
InChI Key	OLQJQHSAWMFDJE-UHFFFAOYSA-N
Molecular Formula	C4H9NO5

4-Bromo-2-nitroaniline, 98%

CAS: 875-51-4 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00041312 InChI Key: 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 Name: 4-bromo-2-nitroaniline SMILES: NC1=CC=C(Br)C=C1[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	70132
CAS	875-51-4
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00041312
SMILES	NC1=CC=C(Br)C=C1[N+]([O-])=O
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
IUPAC Name	4-bromo-2-nitroaniline
InChI Key	ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

Organic zwitterions

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