Organic zwitterions
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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 |
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 |
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 |
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 |
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 |
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-]
| 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 |
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-Nitroaniline, 98%
CAS: 88-74-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007687 InChI Key: DPJCXCZTLWNFOH-UHFFFAOYSA-N Synonym: o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene PubChem CID: 6946 IUPAC Name: 2-nitroaniline SMILES: C1=CC=C(C(=C1)N)[N+](=O)[O-]
| PubChem CID | 6946 |
|---|---|
| CAS | 88-74-4 |
| Molecular Weight (g/mol) | 138.13 |
| MDL Number | MFCD00007687 |
| SMILES | C1=CC=C(C(=C1)N)[N+](=O)[O-] |
| Synonym | o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene |
| IUPAC Name | 2-nitroaniline |
| InChI Key | DPJCXCZTLWNFOH-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
4-Amino-3-nitrobenzonitrile, 98%, Thermo Scientific™
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 |
5-Chloro-2-nitroaniline, 97%
CAS: 1635-61-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00007776 InChI Key: ZCWXYZBQDNFULS-UHFFFAOYSA-N Synonym: 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline PubChem CID: 74218 IUPAC Name: 5-chloro-2-nitroaniline SMILES: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
| PubChem CID | 74218 |
|---|---|
| CAS | 1635-61-6 |
| Molecular Weight (g/mol) | 172.57 |
| MDL Number | MFCD00007776 |
| SMILES | C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] |
| Synonym | 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline |
| IUPAC Name | 5-chloro-2-nitroaniline |
| InChI Key | ZCWXYZBQDNFULS-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
4-Nitroaniline, ≥99.0% (HPLC), Honeywell™ Fluka™
CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007858 InChI Key: TYMLOMAKGOJONV-UHFFFAOYSA-N 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 |
| IUPAC Name | 4-nitroaniline |
| InChI Key | TYMLOMAKGOJONV-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
2-Fluoro-4-nitroaniline, 98%, Thermo Scientific™
CAS: 369-35-7 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.11 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) | 156.11 |
| 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 |
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 |