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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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Molecular Weight (g/mol)

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Grade

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1 – 15 of 106 results
1

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
2

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
3

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

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
4

Titanium(IV) tert-butoxide, 98%

CAS: 3087-39-6 Molecular Formula: C16H36O4Ti Molecular Weight (g/mol): 340.33 MDL Number: MFCD00040554 InChI Key: GRWPYGBKJYICOO-UHFFFAOYSA-N Synonym: unii-px6yr1s99s,px6yr1s99s,titanium iv tert-butoxide,titanium tetra-tert-butoxide,titanium tert-butoxide,titanum tetra t-butoxide,tetra-tert-butoxytitanium iv,titanium 4+ 2-methylpropan-2-olate PubChem CID: 6451515 SMILES: [Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]

PubChem CID 6451515
CAS 3087-39-6
Molecular Weight (g/mol) 340.33
MDL Number MFCD00040554
SMILES [Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]
Synonym unii-px6yr1s99s,px6yr1s99s,titanium iv tert-butoxide,titanium tetra-tert-butoxide,titanium tert-butoxide,titanum tetra t-butoxide,tetra-tert-butoxytitanium iv,titanium 4+ 2-methylpropan-2-olate
InChI Key GRWPYGBKJYICOO-UHFFFAOYSA-N
Molecular Formula C16H36O4Ti
5

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
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

6-Nitro-2(3H)-benzoxazolone, 98%

CAS: 4694-91-1 Molecular Formula: C7H4N2O4 Molecular Weight (g/mol): 180.119 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) 180.119
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
8

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

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
9

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

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
10

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
11

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
12

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
13

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
14

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
15

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]

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