Organic zwitterions

Titanium(IV) isopropoxide, 98+%, ACROS Organics™

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]

Alfa Aesar™ Titanium(IV) isopropoxide, 95%

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]

Alfa Aesar™ 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]

Titanium(IV) ethoxide, 33-35% TiO2, ACROS Organics™

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]

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

CAS: 6074-84-6 Molecular Formula: C10H25O5Ta Molecular Weight (g/mol): 406.253 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: CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5]

Alfa Aesar™ 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]

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

CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.57 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: CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]

Alfa Aesar™ 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

2-Nitro-2-methyl-1,3-propanediol, 99%, ACROS Organics™

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-]

4-Nitroaniline, 99%, ACROS Organics™

CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 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: C1=CC(=CC=C1N)[N+](=O)[O-]

4-Fluoro-2-nitroaniline, 99%, ACROS Organics™

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: C1=CC(=C(C=C1F)[N+](=O)[O-])N

Alfa Aesar™ Titanium(IV) isopropoxide, 97+%

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]

Alfa Aesar™ Tris(hydroxymethyl)nitromethane, 95%

CAS: 126-11-4 Molecular Formula: C4H9NO5 Molecular Weight (g/mol): 151.118 MDL Number: MFCD00007395 InChI Key: OLQJQHSAWMFDJE-UHFFFAOYSA-N Synonym: tris hydroxymethyl nitromethane, 2-hydroxymethyl-2-nitropropane-1,3-diol, 2-hydroxymethyl-2-nitro-1,3-propanediol, cimcool wafers, tris nitro, trimethylolnitromethane, isobutylglycerol, nitro, nitroisobutylglycerol, 1,3-propanediol, 2-hydroxymethyl-2-nitro, methane, trimethylolnitro PubChem CID: 31337 IUPAC Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol SMILES: C(C(CO)(CO)[N+](=O)[O-])O

Alfa Aesar™ Niobium(V) ethoxide, 99.999% (metals basis), Ta <500ppm

CAS: 3236-82-6 Molecular Formula: C10H25NbO5 Molecular Weight (g/mol): 318.211 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: CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5]

4-chloro-2-nitroaniline, 99%, ACROS Organics™

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: C1=CC(=C(C=C1Cl)[N+](=O)[O-])N

Alfa Aesar™ Tantalum(V) ethoxide, 99+%

CAS: 6074-84-6 Molecular Formula: C10H25O5Ta Molecular Weight (g/mol): 406.253 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: CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5]

4-Nitrophenethyl alcohol, 99%, ACROS Organics™

CAS: 100-27-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 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-]

Alfa Aesar™ 2-Methyl-2-nitro-1,3-propanediol, 97%

CAS: 77-49-6 Molecular Formula: C4H9NO4 Molecular Weight (g/mol): 135.119 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-]

Alfa Aesar™ 2-Nitro-1-propanol, 98%

CAS: 2902-96-7 Molecular Formula: C3H7NO3 Molecular Weight (g/mol): 105.093 MDL Number: MFCD00007398 InChI Key: PCNWBUOSTLGPMI-UHFFFAOYSA-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-]

2-Nitroaniline, 98%, ACROS Organics™

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-]

Alfa Aesar™ N-(2-Ethylhexyl)-3-nitrobenzamide, 97%

CAS: 448912-61-6 Molecular Formula: C15H22N2O3 Molecular Weight (g/mol): 278.352 MDL Number: MFCD02340196 InChI Key: CYGCGKPZQVHKCK-UHFFFAOYSA-N Synonym: n-2-ethylhexyl-3-nitrobenzamide PubChem CID: 4412539 IUPAC Name: N-(2-ethylhexyl)-3-nitrobenzamide SMILES: CCCCC(CC)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

4-chloro-5-nitro-o-phenylenediamine, 98%, ACROS Organics™

CAS: 67073-39-6 Molecular Formula: C6H6ClN3O2 Molecular Weight (g/mol): 187.59 MDL Number: MFCD03427594 InChI Key: LOQLMWFVXRZASN-UHFFFAOYSA-N Synonym: 4-chloro-5-nitro-o-phenylenediamine, 4-chloro-5-nitro-1,2-benzenediamine, 5-chloro-4-nitrobenzene-1,2-diamine, 4-chloro-5-nitro-1,2-phenylenediamine, 4-chloro-5-nitro-benzene-1,2-diamine, 1,2-benzenediamine, 4-chloro-5-nitro PubChem CID: 5702618 IUPAC Name: 4-chloro-5-nitrobenzene-1,2-diamine SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)N)N

Alfa Aesar™ 5-(4-Nitrophenyl)-1H-tetrazole, 97%

CAS: 16687-60-8 Molecular Formula: C7H5N5O2 Molecular Weight (g/mol): 191.15 MDL Number: MFCD00068729 InChI Key: MIUOBAHGBPSRKY-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-1h-tetrazole, 5-4-nitrophenyl-2h-tetrazole, 5-4-nitro-phenyl-2h-tetrazole, 5-4-nitrophenyl tetrazole, 5-4-nitrophenyl-1h-1,2,3,4-tetrazole, 5-4-nitro-phenyl-1h-tetrazole, 5-4-nitrophenyl-2h-1,2,3,4-tetrazole, maybridge1_004022, acmc-1bt31 PubChem CID: 285163 IUPAC Name: 5-(4-nitrophenyl)-2H-tetrazole SMILES: C1=CC(=CC=C1C2=NNN=N2)[N+](=O)[O-]

Alfa Aesar™ 5-Chloro-2-nitroaniline, 97%

CAS: 1635-61-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 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-]

Alfa Aesar™ N-(3-Chloro-4-methylphenyl)-4-nitrobenzamide, 97%

CAS: 5344-54-7 Molecular Formula: C14H11ClN2O3 Molecular Weight (g/mol): 290.703 MDL Number: MFCD00171547 InChI Key: WVMKIXPORUXIMJ-UHFFFAOYSA-N Synonym: n-3-chloro-4-methylphenyl-4-nitrobenzamide, 3'-chloro-4'-methyl-4-nitrobenzanilide, benzamide,n-3-chloro-4-methylphenyl-4-nitro, n-3-chloro-4-methylphenyl 4-nitrophenyl carboxamide, n-3-chloro-4-methyl-phenyl-4-nitro-benzamide PubChem CID: 295397 IUPAC Name: N-(3-chloro-4-methylphenyl)-4-nitrobenzamide SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Alfa Aesar™ 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

Alfa Aesar™ 3-(3-Nitrophenyl)-1H-pyrazole, 97%

CAS: 59843-77-5 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.174 MDL Number: MFCD00106146 InChI Key: RUWXJVIBNZSEQD-UHFFFAOYSA-N Synonym: 3-3-nitrophenyl-1h-pyrazole, 3-3-nitrophenyl pyrazole, 3-3-nitro-phenyl-1h-pyrazole, 5-3-nitrophenyl-1h-pyrazole, 5-3-nitrophenyl pyrazole, 5-3-nitro-phenyl-1h-pyrazole, 3-3-nitrophenyl-2h-pyrazole, 3-nitro phenylpyrazole, pubchem22739 PubChem CID: 2737070 IUPAC Name: 5-(3-nitrophenyl)-1H-pyrazole SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NN2

Alfa Aesar™ 5-Chloro-4-fluoro-2-nitroaniline, 97%

CAS: 104222-34-6 Molecular Formula: C6H4ClFN2O2 Molecular Weight (g/mol): 190.558 MDL Number: MFCD00052698 InChI Key: VRJKEIWZSOHDOH-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoro-5-chloroaniline, benzenamine, 5-chloro-4-fluoro-2-nitro, benzenamine,5-chloro-4-fluoro-2-nitro, 5-chloro-4-fluoro-2-nitrophenylamine, pubchem8452, acmc-2098bg, timtec-bb sbb003647, buttpark 45\03-11, 3-chloro-4-fluoro-6-nitroaniline, 5-chloro-4-fluoro-2-nitro-aniline PubChem CID: 517835 IUPAC Name: 5-chloro-4-fluoro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N

Alfa Aesar™ GW 9662

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

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