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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 111 results
1

4-Fluoro-2-nitroaniline, 99%

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
2

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]

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
3

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-]

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
4

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
5

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
6

Manganese(II) methoxide

CAS: 7245-20-7 Molecular Formula: C2H6MnO2 Molecular Weight (g/mol): 117.006 MDL Number: MFCD00061476 InChI Key: UQIRCVPINUNHQY-UHFFFAOYSA-N Synonym: manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide PubChem CID: 10219413 IUPAC Name: manganese(2+);methanolate SMILES: C[O-].C[O-].[Mn+2]

PubChem CID 10219413
CAS 7245-20-7
Molecular Weight (g/mol) 117.006
MDL Number MFCD00061476
SMILES C[O-].C[O-].[Mn+2]
Synonym manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide
IUPAC Name manganese(2+);methanolate
InChI Key UQIRCVPINUNHQY-UHFFFAOYSA-N
Molecular Formula C2H6MnO2
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

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
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

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]

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
11

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
12

2-Chloro-5-nitroaniline, 98%

CAS: 6283-25-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007668 InChI Key: KWIXNFOTNVKIGM-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline PubChem CID: 22691 IUPAC Name: 2-chloro-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl

PubChem CID 22691
CAS 6283-25-6
Molecular Weight (g/mol) 172.568
MDL Number MFCD00007668
SMILES C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
Synonym benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline
IUPAC Name 2-chloro-5-nitroaniline
InChI Key KWIXNFOTNVKIGM-UHFFFAOYSA-N
Molecular Formula C6H5ClN2O2
13

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
14

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
15

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