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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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1 – 15 of 110 results
1

2-Fluoro-4-nitroaniline, 95%

CAS: 369-35-7 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.116 MDL Number: MFCD00034560 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC Name: 2-fluoro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)N

PubChem CID 101254
CAS 369-35-7
Molecular Weight (g/mol) 156.116
MDL Number MFCD00034560
SMILES C1=CC(=C(C=C1[N+](=O)[O-])F)N
Synonym 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline
IUPAC Name 2-fluoro-4-nitroaniline
InChI Key LETNCFZQCNCACQ-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
2

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

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
3

Iron(II) methoxide, 98%

CAS: 7245-21-8 Molecular Formula: C2H6FeO2 Molecular Weight (g/mol): 117.913 MDL Number: MFCD00061474 InChI Key: VAPRHKOWFRYFTF-UHFFFAOYSA-N Synonym: iron ii methoxide,iron 2+ dimethoxide,methanol, iron 2+ salt,acmc-1bc40 PubChem CID: 14598007 IUPAC Name: iron(2+);methanolate SMILES: C[O-].C[O-].[Fe+2]

PubChem CID 14598007
CAS 7245-21-8
Molecular Weight (g/mol) 117.913
MDL Number MFCD00061474
SMILES C[O-].C[O-].[Fe+2]
Synonym iron ii methoxide,iron 2+ dimethoxide,methanol, iron 2+ salt,acmc-1bc40
IUPAC Name iron(2+);methanolate
InChI Key VAPRHKOWFRYFTF-UHFFFAOYSA-N
Molecular Formula C2H6FeO2
4

Zinc tert-butoxide

CAS: 4278-43-7 Molecular Formula: C8H18O2Zn Molecular Weight (g/mol): 211.61 MDL Number: MFCD00145545 InChI Key: DVGVEVPHJQJMPP-UHFFFAOYSA-N Synonym: zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate PubChem CID: 14178434 IUPAC Name: zinc;2-methylpropan-2-olate SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]

PubChem CID 14178434
CAS 4278-43-7
Molecular Weight (g/mol) 211.61
MDL Number MFCD00145545
SMILES CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
Synonym zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate
IUPAC Name zinc;2-methylpropan-2-olate
InChI Key DVGVEVPHJQJMPP-UHFFFAOYSA-N
Molecular Formula C8H18O2Zn
5

Titanium(IV) isopropoxide, 99.995% (metals basis)

CAS: 546-68-9 Molecular Formula: C12H28O4Ti Molecular Weight (g/mol): 284.219 MDL Number: MFCD00008871 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]

PubChem CID 11026
CAS 546-68-9
Molecular Weight (g/mol) 284.219
MDL Number MFCD00008871
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
6

2-Nitro-1-propanol, 97%

CAS: 2902-96-7 Molecular Formula: C3H7NO3 Molecular Weight (g/mol): 105.09 MDL Number: MFCD00007398 InChI Key: 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 Name: 2-nitropropan-1-ol SMILES: CC(CO)[N+]([O-])=O

PubChem CID 92187
CAS 2902-96-7
Molecular Weight (g/mol) 105.09
MDL Number MFCD00007398
SMILES CC(CO)[N+]([O-])=O
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
IUPAC Name 2-nitropropan-1-ol
InChI Key PCNWBUOSTLGPMI-UHFFFAOYNA-N
Molecular Formula C3H7NO3
7

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

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
8

4-Nitro-1H-pyrazole-3-carboxylic acid, 98%, Thermo Scientific Chemicals

CAS: 5334-40-7 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.085 MDL Number: MFCD00090899 InChI Key: ZMAXXOYJWZZQBK-UHFFFAOYSA-N Synonym: 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic PubChem CID: 219739 SMILES: C1=NNC(=C1[N+](=O)[O-])C(=O)O

PubChem CID 219739
CAS 5334-40-7
Molecular Weight (g/mol) 157.085
MDL Number MFCD00090899
SMILES C1=NNC(=C1[N+](=O)[O-])C(=O)O
Synonym 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic
InChI Key ZMAXXOYJWZZQBK-UHFFFAOYSA-N
Molecular Formula C4H3N3O4
9

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

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
10

4-Amino-3-nitrobenzonitrile, 98%

CAS: 6393-40-4 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00013373 InChI Key: JAHADAZIDZMHOP-UHFFFAOYSA-N Synonym: 3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile PubChem CID: 595901 IUPAC Name: 4-amino-3-nitrobenzonitrile SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C#N

PubChem CID 595901
CAS 6393-40-4
Molecular Weight (g/mol) 163.14
MDL Number MFCD00013373
SMILES NC1=CC=C(C=C1[N+]([O-])=O)C#N
Synonym 3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile
IUPAC Name 4-amino-3-nitrobenzonitrile
InChI Key JAHADAZIDZMHOP-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
11

2-Nitroimidazole, 98%

CAS: 527-73-1 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005185 InChI Key: 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 Name: 2-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=NC=CN1

PubChem CID 10701
CAS 527-73-1
Molecular Weight (g/mol) 113.08
ChEBI CHEBI:67135
MDL Number MFCD00005185
SMILES [O-][N+](=O)C1=NC=CN1
Synonym 2-nitroimidazole,azomycin,amicin,nitroimidazole,1h-imidazole, 2-nitro,imidazole, 2-nitro,2-nitroimidazol,2-nitro-imidazole,unii-k8e96xl55d,azomycin 2-nitroimidazole
IUPAC Name 2-nitro-1H-imidazole
InChI Key YZEUHQHUFTYLPH-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
12

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

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
13

4-Fluoro-2-nitroaniline, 98%

CAS: 364-78-3 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007830 InChI Key: PUGDHSSOXPHLPT-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421 PubChem CID: 67769 IUPAC Name: 4-fluoro-2-nitroaniline SMILES: NC1=CC=C(F)C=C1[N+]([O-])=O

PubChem CID 67769
CAS 364-78-3
Molecular Weight (g/mol) 156.12
MDL Number MFCD00007830
SMILES NC1=CC=C(F)C=C1[N+]([O-])=O
Synonym 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421
IUPAC Name 4-fluoro-2-nitroaniline
InChI Key PUGDHSSOXPHLPT-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
14

4-Nitro-o-phenylenediamine, 97%

CAS: 99-56-9 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007724 InChI Key: RAUWPNXIALNKQM-UHFFFAOYSA-N Synonym: 4-nitro-o-phenylenediamine,1,2-diamino-4-nitrobenzene,4-nitro-1,2-phenylenediamine,2-amino-4-nitroaniline,3,4-diaminonitrobenzene,p-nitro-o-phenylenediamine,1,2-benzenediamine, 4-nitro,4-nitro-1,2-diaminobenzene,4-nitrophenylenediamine,4-nitro-1,2-benzenediamine PubChem CID: 5111791 ChEBI: CHEBI:67116 IUPAC Name: 4-nitrobenzene-1,2-diamine SMILES: NC1=CC=C(C=C1N)[N+]([O-])=O

PubChem CID 5111791
CAS 99-56-9
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:67116
MDL Number MFCD00007724
SMILES NC1=CC=C(C=C1N)[N+]([O-])=O
Synonym 4-nitro-o-phenylenediamine,1,2-diamino-4-nitrobenzene,4-nitro-1,2-phenylenediamine,2-amino-4-nitroaniline,3,4-diaminonitrobenzene,p-nitro-o-phenylenediamine,1,2-benzenediamine, 4-nitro,4-nitro-1,2-diaminobenzene,4-nitrophenylenediamine,4-nitro-1,2-benzenediamine
IUPAC Name 4-nitrobenzene-1,2-diamine
InChI Key RAUWPNXIALNKQM-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
15

Tantalum(V) ethoxide, 99.999% (metals basis), Nb <100ppm

CAS: 6074-84-6 Molecular Formula: C10H25O5Ta Molecular Weight (g/mol): 406.25 MDL Number: MFCD00049785 InChI Key: HSXKFDGTKKAEHL-UHFFFAOYSA-N Synonym: tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide PubChem CID: 160806 IUPAC Name: ethanolate;tantalum(5+) SMILES: CCO[Ta](OCC)(OCC)(OCC)OCC

PubChem CID 160806
CAS 6074-84-6
Molecular Weight (g/mol) 406.25
MDL Number MFCD00049785
SMILES CCO[Ta](OCC)(OCC)(OCC)OCC
Synonym tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide
IUPAC Name ethanolate;tantalum(5+)
InChI Key HSXKFDGTKKAEHL-UHFFFAOYSA-N
Molecular Formula C10H25O5Ta