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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 129 results
1

GW 9662, Thermo Scientific Chemicals

CAS: 22978-25-2 Molecular Formula: C13H9ClN2O3 Molecular Weight (g/mol): 276.676 MDL Number: MFCD01215270 InChI Key: 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 Name: 2-chloro-5-nitro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

PubChem CID 644213
CAS 22978-25-2
Molecular Weight (g/mol) 276.676
ChEBI CHEBI:79993
MDL Number MFCD01215270
SMILES C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
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
IUPAC Name 2-chloro-5-nitro-N-phenylbenzamide
InChI Key DNTSIBUQMRRYIU-UHFFFAOYSA-N
Molecular Formula C13H9ClN2O3
2

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
3

2,3-Difluoro-6-nitroaniline, 97%, Thermo Scientific Chemicals

CAS: 211693-73-1 Molecular Formula: C6H4F2N2O2 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00233313 InChI Key: DIPGYZSCGXBTEU-UHFFFAOYSA-N Synonym: 2-amino-3,4-difluoronitrobenzene,2,3-difluoro-6-nitrophenylamine,2,3-difluoro-6-nitrobenzenamine,benzenamine, 2,3-difluoro-6-nitro,acmc-1byjz,5,6-difluoro-2-nitroaniline,ksc495e7r,2,3-difluoro-6-nitro-aniline,buttpark 15\01-97,2,3-difluoro-6-nitro-phenylamine PubChem CID: 2737028 IUPAC Name: 2,3-difluoro-6-nitroaniline SMILES: NC1=C(C=CC(F)=C1F)[N+]([O-])=O

PubChem CID 2737028
CAS 211693-73-1
Molecular Weight (g/mol) 174.11
MDL Number MFCD00233313
SMILES NC1=C(C=CC(F)=C1F)[N+]([O-])=O
Synonym 2-amino-3,4-difluoronitrobenzene,2,3-difluoro-6-nitrophenylamine,2,3-difluoro-6-nitrobenzenamine,benzenamine, 2,3-difluoro-6-nitro,acmc-1byjz,5,6-difluoro-2-nitroaniline,ksc495e7r,2,3-difluoro-6-nitro-aniline,buttpark 15\01-97,2,3-difluoro-6-nitro-phenylamine
IUPAC Name 2,3-difluoro-6-nitroaniline
InChI Key DIPGYZSCGXBTEU-UHFFFAOYSA-N
Molecular Formula C6H4F2N2O2
4

4,5-Dichloro-2-nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 6641-64-1 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007770 InChI Key: FSGTULQLEVAYRS-UHFFFAOYSA-N Synonym: 3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu PubChem CID: 81149 IUPAC Name: 4,5-dichloro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N

PubChem CID 81149
CAS 6641-64-1
Molecular Weight (g/mol) 207.01
MDL Number MFCD00007770
SMILES C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
Synonym 3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu
IUPAC Name 4,5-dichloro-2-nitroaniline
InChI Key FSGTULQLEVAYRS-UHFFFAOYSA-N
Molecular Formula C6H4Cl2N2O2
5

6-Nitrobenzoxazole-2(3H)-one, 97%, Thermo Scientific Chemicals

CAS: 4694-91-1 Molecular Formula: C7H4N2O4 Molecular Weight (g/mol): 180.12 MDL Number: MFCD00463755 InChI Key: JGYJZHYTADCWIK-UHFFFAOYSA-N Synonym: 6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one PubChem CID: 78419 IUPAC Name: 6-nitro-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2

PubChem CID 78419
CAS 4694-91-1
Molecular Weight (g/mol) 180.12
MDL Number MFCD00463755
SMILES C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2
Synonym 6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one
IUPAC Name 6-nitro-3H-1,3-benzoxazol-2-one
InChI Key JGYJZHYTADCWIK-UHFFFAOYSA-N
Molecular Formula C7H4N2O4
6

3-(4-Nitrophenyl)-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 20583-31-7 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00665859 InChI Key: IPIYADCDDIUVPS-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole PubChem CID: 2737071 IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1

PubChem CID 2737071
CAS 20583-31-7
Molecular Weight (g/mol) 189.17
MDL Number MFCD00665859
SMILES [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1
Synonym 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole
IUPAC Name 5-(4-nitrophenyl)-1H-pyrazole
InChI Key IPIYADCDDIUVPS-UHFFFAOYSA-N
Molecular Formula C9H7N3O2
7

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

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
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

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

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
10

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

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
11

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]

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
12

2-(4-Nitrophenyl)ethanol, 98%

CAS: 100-27-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00010202 InChI Key: IKMXRUOZUUKSON-UHFFFAOYSA-N Synonym: 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol PubChem CID: 7494 IUPAC Name: 2-(4-nitrophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)[N+](=O)[O-]

PubChem CID 7494
CAS 100-27-6
Molecular Weight (g/mol) 167.164
MDL Number MFCD00010202
SMILES C1=CC(=CC=C1CCO)[N+](=O)[O-]
Synonym 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol
IUPAC Name 2-(4-nitrophenyl)ethanol
InChI Key IKMXRUOZUUKSON-UHFFFAOYSA-N
Molecular Formula C8H9NO3
13

Niobium(V) ethoxide, 99.99% (metals basis), Ta <500ppm

CAS: 3236-82-6 Molecular Formula: C10H25NbO5 Molecular Weight (g/mol): 318.21 MDL Number: MFCD00015122 InChI Key: ZTILUDNICMILKJ-UHFFFAOYSA-N Synonym: niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+ PubChem CID: 160675 IUPAC Name: ethanolate;niobium(5+) SMILES: CCO[Nb](OCC)(OCC)(OCC)OCC

PubChem CID 160675
CAS 3236-82-6
Molecular Weight (g/mol) 318.21
MDL Number MFCD00015122
SMILES CCO[Nb](OCC)(OCC)(OCC)OCC
Synonym niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+
IUPAC Name ethanolate;niobium(5+)
InChI Key ZTILUDNICMILKJ-UHFFFAOYSA-N
Molecular Formula C10H25NbO5
14

Zirconium(IV) propoxide, ca. 70%, solution in 1-Propanol, AcroSeal™

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 SMILES: CCCO[Zr](OCCC)(OCCC)OCCC

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
InChI Key XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molecular Formula C12H28O4Zr
15

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