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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Zirconium(IV) n-propoxide, 70% w/w in n-propanol, packaged under Argon in resealable ChemSeal™ bottles, Thermo Scientific Chemicals

CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.58 MDL Number: MFCD00015307 InChI Key: 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 Name: propan-1-olate;zirconium(4+) SMILES: CCCO[Zr](OCCC)(OCCC)OCCC

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Specifications

PubChem CID	90139
CAS	23519-77-9
Molecular Weight (g/mol)	327.58
MDL Number	MFCD00015307
SMILES	CCCO[Zr](OCCC)(OCCC)OCCC
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
IUPAC Name	propan-1-olate;zirconium(4+)
InChI Key	XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molecular Formula	C12H28O4Zr

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3-Chloro-4-nitroaniline, 95%

CAS: 825-41-2 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00085922 InChI Key: LDSIOPGMLLPSSR-UHFFFAOYSA-N Synonym: benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine PubChem CID: 69996 IUPAC Name: 3-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	69996
CAS	825-41-2
Molecular Weight (g/mol)	172.568
MDL Number	MFCD00085922
SMILES	C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]
Synonym	benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine
IUPAC Name	3-chloro-4-nitroaniline
InChI Key	LDSIOPGMLLPSSR-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

4-chloro-2-nitroaniline, 99%

CAS: 89-63-4 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00007836 InChI Key: PBGKNXWGYQPUJK-UHFFFAOYSA-N Synonym: benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi PubChem CID: 6979 IUPAC Name: 4-chloro-2-nitroaniline SMILES: NC1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	6979
CAS	89-63-4
Molecular Weight (g/mol)	172.57
MDL Number	MFCD00007836
SMILES	NC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi
IUPAC Name	4-chloro-2-nitroaniline
InChI Key	PBGKNXWGYQPUJK-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

Antimony(III) ethoxide, 99.9% (metals basis)

CAS: 10433-06-4 Molecular Formula: C6H15O3Sb Molecular Weight (g/mol): 256.943 MDL Number: MFCD00015123 InChI Key: JGOJQVLHSPGMOC-UHFFFAOYSA-N Synonym: antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide PubChem CID: 66326 IUPAC Name: antimony(3+);ethanolate SMILES: CC[O-].CC[O-].CC[O-].[Sb+3]

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Specifications

PubChem CID	66326
CAS	10433-06-4
Molecular Weight (g/mol)	256.943
MDL Number	MFCD00015123
SMILES	CC[O-].CC[O-].CC[O-].[Sb+3]
Synonym	antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide
IUPAC Name	antimony(3+);ethanolate
InChI Key	JGOJQVLHSPGMOC-UHFFFAOYSA-N
Molecular Formula	C6H15O3Sb

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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

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3-Nitro-o-phenylenediamine, 98%

CAS: 3694-52-8 Molecular Formula: C₆H₇N₃O₂ Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007722 InChI Key: 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 Name: 3-nitrobenzene-1,2-diamine SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

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Specifications

PubChem CID	4359525
CAS	3694-52-8
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00007722
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)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
IUPAC Name	3-nitrobenzene-1,2-diamine
InChI Key	IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molecular Formula	C₆H₇N₃O₂

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4-chloro-5-nitro-o-phenylenediamine, 98%

CAS: 67073-39-6 Molecular Formula: C6H6ClN3O2 Molecular Weight (g/mol): 187.58 MDL Number: MFCD03427594 InChI Key: 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 Name: 4-chloro-5-nitrobenzene-1,2-diamine SMILES: NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O

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Specifications

PubChem CID	5702618
CAS	67073-39-6
Molecular Weight (g/mol)	187.58
MDL Number	MFCD03427594
SMILES	NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O
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
IUPAC Name	4-chloro-5-nitrobenzene-1,2-diamine
InChI Key	LOQLMWFVXRZASN-UHFFFAOYSA-N
Molecular Formula	C6H6ClN3O2

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

CAS: 99-30-9 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007677 InChI Key: BIXZHMJUSMUDOQ-UHFFFAOYSA-N Synonym: dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide PubChem CID: 7430 ChEBI: CHEBI:27864 IUPAC Name: 2,6-dichloro-4-nitroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	7430
CAS	99-30-9
Molecular Weight (g/mol)	207.01
ChEBI	CHEBI:27864
MDL Number	MFCD00007677
SMILES	C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
Synonym	dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide
IUPAC Name	2,6-dichloro-4-nitroaniline
InChI Key	BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2N2O2

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4,5-Difluoro-2-nitroaniline, 98%

CAS: 78056-39-0 Molecular Formula: C6H4F2N2O2 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00010876 InChI Key: WDMCABATCGQAKK-UHFFFAOYSA-N Synonym: 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb PubChem CID: 157151 IUPAC Name: 4,5-difluoro-2-nitroaniline SMILES: NC1=CC(F)=C(F)C=C1[N+]([O-])=O

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Specifications

PubChem CID	157151
CAS	78056-39-0
Molecular Weight (g/mol)	174.11
MDL Number	MFCD00010876
SMILES	NC1=CC(F)=C(F)C=C1[N+]([O-])=O
Synonym	3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb
IUPAC Name	4,5-difluoro-2-nitroaniline
InChI Key	WDMCABATCGQAKK-UHFFFAOYSA-N
Molecular Formula	C6H4F2N2O2

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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

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3-Bromo-2-nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 7138-15-0 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD08063248 InChI Key: GLKHLBAXHLAQBJ-UHFFFAOYSA-N Synonym: 3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene PubChem CID: 21852072 IUPAC Name: 3-bromo-2-nitroaniline SMILES: C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N

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Specifications

PubChem CID	21852072
CAS	7138-15-0
Molecular Weight (g/mol)	217.022
MDL Number	MFCD08063248
SMILES	C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N
Synonym	3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene
IUPAC Name	3-bromo-2-nitroaniline
InChI Key	GLKHLBAXHLAQBJ-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

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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

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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

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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

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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

Tantalum(V) methoxide

CAS: 865-35-0 Molecular Formula: C5H15O5Ta Molecular Weight (g/mol): 336.118 MDL Number: MFCD00058817 InChI Key: QASMZJKUEABJNR-UHFFFAOYSA-N PubChem CID: 12787641 IUPAC Name: methanolate;tantalum(5+) SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]

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Specifications

PubChem CID	12787641
CAS	865-35-0
Molecular Weight (g/mol)	336.118
MDL Number	MFCD00058817
SMILES	C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
IUPAC Name	methanolate;tantalum(5+)
InChI Key	QASMZJKUEABJNR-UHFFFAOYSA-N
Molecular Formula	C5H15O5Ta

Organic zwitterions

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