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Home > Nitro Compounds > 618-88-2
618-88-2 | 5-Nitroisophthalic acid
CAS No: 618-88-2 Catalog No: AG003MXD MDL No:MFCD00007254
Product Description
Catalog Number:
AG003MXD
Chemical Name:
5-Nitroisophthalic acid
CAS Number:
618-88-2
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007254
IUPAC Name:
5-nitrobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NBDAHKQJXVLAID-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
EC Number:
210-568-3
UNII:
G7RZ7LC76U
NSC Number:
66545
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.129g/mol
Monoisotopic Mass:
211.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Topological studies of three related metal-organic frameworks of GdIII and 5-nitroisophthalate. | Acta crystallographica. Section B, Structural science 20121001 |
| Low-dimensional porous coordination polymers based on 1,2-bis(4-pyridyl)hydrazine: from structure diversity to ultrahigh CO2/CH4 selectivity. | Inorganic chemistry 20120521 |
| 2D coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties. | Dalton transactions (Cambridge, England : 2003) 20120514 |
| Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures. | Dalton transactions (Cambridge, England : 2003) 20120414 |
| Poly[[diaqua-bis-[μ(4)-5-nitro-isophthalato-κ(4)O(1):O(1):O(3):O(3')]bis-[μ(3)-pyridine-4-carboxyl-ato-κ(3)O:O':N]tricobalt(II)] tetra-hydrate]. | Acta crystallographica. Section E, Structure reports online 20120401 |
| 4-[(4-Amino-phen-yl)sulfon-yl]aniline-3,5-dinitro-benzoic acid (1/1). | Acta crystallographica. Section E, Structure reports online 20120301 |
| Three novel organosilver(I) coordination networks constructed from diallylmelamine and polycarboxylates incorporating silver-vinyl bonding. | Dalton transactions (Cambridge, England : 2003) 20120227 |
| Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition. | Dalton transactions (Cambridge, England : 2003) 20111021 |
| trans-Bis[4-amino-3,5-bis-(2-pyrid-yl)-4H-1,2,4-triazole-κN]diaqua-cobalt(II) bis-(3-carb-oxy-5-nitro-benzoate). | Acta crystallographica. Section E, Structure reports online 20111001 |
| A Kagomé layer-based 3D Mn(II) framework showing coexistence of spin-canting, spin-frustration, field-induced metamagnetic and spin-flop transitions. | Dalton transactions (Cambridge, England : 2003) 20110914 |
| A rare `mesh of trees' (mot) net: poly[aquahemi[μ4-1,6-bis(1,2,4-triazol-1-yl)hexane](μ2-5-nitroisophthalato)cadmium(II)]. | Acta crystallographica. Section C, Crystal structure communications 20110801 |
| Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium]. | Acta crystallographica. Section E, Structure reports online 20110801 |
| Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid. | Acta crystallographica. Section C, Crystal structure communications 20110701 |
| 1,4-Dihydro-quinoxaline-2,3-dione-5-nitro-isophthalic acid-water (1/1/1). | Acta crystallographica. Section E, Structure reports online 20110701 |
| Bis(3-carb-oxy-5-nitro-benzoato)bis-[2-(pyridin-4-yl)-1H-imidazo[4,5-f][1,10]phenanthroline]manganese(II). | Acta crystallographica. Section E, Structure reports online 20110301 |
| Poly[[tris-(N,N-dimethyl-formamide)(μ(4)-5-nitro-isophthalato)(μ(3)-5-nitro-isophthalato)dicobalt(II)] N,N-dimethyl-formamide monosolvate]. | Acta crystallographica. Section E, Structure reports online 20101001 |
| catena-Poly[(μ(2)-3-carb-oxy-5-nitro-benzoato)(μ(3)-5-nitro-benzene-1,3-dicarboxyl-ato)(1,10-phenanthroline)gadolinium(III)]. | Acta crystallographica. Section E, Structure reports online 20101001 |
| Bis(4-carboxy-piperidinium) 5-nitro-isophthalate. | Acta crystallographica. Section E, Structure reports online 20100601 |
| Bis[diamminesilver(I)] 5-nitro-iso-phthalate monohydrate. | Acta crystallographica. Section E, Structure reports online 20100401 |
| Nanoporous lanthanide-carboxylate frameworks based on 5-nitroisophthalic acid. | Dalton transactions (Cambridge, England : 2003) 20100214 |
| The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. | Beilstein journal of organic chemistry 20100101 |
| Poly[aqua-[μ(2)-cis-1,2-bis-(4-pyrid-yl)ethyl-ene-κN:N'](μ(2)-5-nitro-isophthalato-κO:O',O'')nickel(II)]. | Acta crystallographica. Section E, Structure reports online 20100101 |
| catena-Poly[[bis-(3-carb-oxy-5-nitro-benzoato-κO)copper(II)]-μ-1,3-di-4-pyridylpropane-κN:N']. | Acta crystallographica. Section E, Structure reports online 20090901 |
| Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate]. | Acta crystallographica. Section E, Structure reports online 20090901 |
| Triaqua-(2,2'-bipyridine N,N'-dioxide-κO,O')(5-nitro-benzene-1,3-dicarboxyl-ato-κO)zinc(II). | Acta crystallographica. Section E, Structure reports online 20090601 |
| Poly[di-μ(2)-acetato-diaquabis(2,2'-bi-pyridine)bis(μ(3)-5-nitroisophthalato)tricobalt(II)]. | Acta crystallographica. Section E, Structure reports online 20090501 |
| Poly[bis-(μ(3)-5-nitro-isophthalato)bis-(1,10-phenanthroline)dimanganese(II)]. | Acta crystallographica. Section E, Structure reports online 20090401 |
| Methyl 3-carboxy-5-nitrobenzoate. | Acta crystallographica. Section E, Structure reports online 20090201 |
| Triaqua-(2,2'-bipyridine)(5-nitro-isophthal-ato-κO)nickel(II) monohydrate. | Acta crystallographica. Section E, Structure reports online 20090101 |
| Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour. | Dalton transactions (Cambridge, England : 2003) 20081221 |
| Triaqua-(2,2'-bipyridine-κN,N')(5-nitro-isophthalato-κO)zinc(II) monohydrate. | Acta crystallographica. Section E, Structure reports online 20081201 |
| catena-Poly[[aqua-(2,2'-bipyridine-κN,N')copper(II)]-μ-5-nitro-isophthalato-κO,O:O]. | Acta crystallographica. Section E, Structure reports online 20081201 |
| catena-Poly[[aqua-(2,2'-bipyridyl)cobalt(II)]-μ-5-nitro-isophthalato]. | Acta crystallographica. Section E, Structure reports online 20081201 |
| (E)-5,5'-(Diazene-1,2-di-yl)diisophthalic acid N,N-dimethyl-formamide disolvate. | Acta crystallographica. Section E, Structure reports online 20081101 |
| Diversification of hydrothermal reaction products induced by temperature: syntheses, structures and properties of four La(III)-Cu(II) metal frameworks constructed from rod-shaped molecular building blocks. | Dalton transactions (Cambridge, England : 2003) 20081021 |
| The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids. | Acta crystallographica. Section C, Crystal structure communications 20080301 |
| A one-dimensional ladder-like coordination polymer: poly[[hexa-aqua-bis(μ-5-nitro-benzene-1,3-dicarboxyl-ato-κO,O',O'')(μ-oxalato-κO,O':O'',O''')diyttrium(III)] trihydrate]. | Acta crystallographica. Section E, Structure reports online 20080101 |
| Poly[[mu2-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-mu2,mu4-5-nitro-1,3-benzenedicarboxylato]. | Acta crystallographica. Section C, Crystal structure communications 20041101 |
| The salt-type 1:2 adduct of meso-5,5,7,12,12,14-hexa-C-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational isomers of [(tet-a)H2]2+. | Acta crystallographica. Section C, Crystal structure communications 20020801 |
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