Home Nitro Compounds 618-88-2
618-88-2,MFCD00007254
Catalog No.:AA003MUL

618-88-2 | 5-Nitroisophthalic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA003MUL
Chemical Name:
5-Nitroisophthalic acid
CAS Number:
618-88-2
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007254
SMILES:
OC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NSC Number:
66545
Properties
Properties
 
BP:
473.7°C at 760 mmHg  
Form:
Solid  
MP:
259-261 °C(lit.)  
Refractive Index:
1.5282 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
274  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Literature

Title: Topological studies of three related metal-organic frameworks of GdIII and 5-nitroisophthalate.

Journal: Acta crystallographica. Section B, Structural science 20121001

Title: Low-dimensional porous coordination polymers based on 1,2-bis(4-pyridyl)hydrazine: from structure diversity to ultrahigh CO2/CH4 selectivity.

Journal: Inorganic chemistry 20120521

Title: 2D coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.

Journal: Dalton transactions (Cambridge, England : 2003) 20120514

Title: Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.

Journal: Dalton transactions (Cambridge, England : 2003) 20120414

Title: 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].

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: 4-[(4-Amino-phen-yl)sulfon-yl]aniline-3,5-dinitro-benzoic acid (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: Three novel organosilver(I) coordination networks constructed from diallylmelamine and polycarboxylates incorporating silver-vinyl bonding.

Journal: Dalton transactions (Cambridge, England : 2003) 20120227

Title: 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.

Journal: Dalton transactions (Cambridge, England : 2003) 20111021

Title: 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).

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: A Kagomé layer-based 3D Mn(II) framework showing coexistence of spin-canting, spin-frustration, field-induced metamagnetic and spin-flop transitions.

Journal: Dalton transactions (Cambridge, England : 2003) 20110914

Title: 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)].

Journal: Acta crystallographica. Section C, Crystal structure communications 20110801

Title: Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium].

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20110701

Title: 1,4-Dihydro-quinoxaline-2,3-dione-5-nitro-isophthalic acid-water (1/1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Bis(3-carb-oxy-5-nitro-benzoato)bis-[2-(pyridin-4-yl)-1H-imidazo[4,5-f][1,10]phenanthroline]manganese(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Poly[[tris-(N,N-dimethyl-formamide)(μ(4)-5-nitro-isophthalato)(μ(3)-5-nitro-isophthalato)dicobalt(II)] N,N-dimethyl-formamide monosolvate].

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: catena-Poly[(μ(2)-3-carb-oxy-5-nitro-benzoato)(μ(3)-5-nitro-benzene-1,3-dicarboxyl-ato)(1,10-phenanthroline)gadolinium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: Bis(4-carboxy-piperidinium) 5-nitro-isophthalate.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: Bis[diamminesilver(I)] 5-nitro-iso-phthalate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: Nanoporous lanthanide-carboxylate frameworks based on 5-nitroisophthalic acid.

Journal: Dalton transactions (Cambridge, England : 2003) 20100214

Title: The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.

Journal: Beilstein journal of organic chemistry 20100101

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: catena-Poly[[bis-(3-carb-oxy-5-nitro-benzoato-κO)copper(II)]-μ-1,3-di-4-pyridylpropane-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Triaqua-(2,2'-bipyridine N,N'-dioxide-κO,O')(5-nitro-benzene-1,3-dicarboxyl-ato-κO)zinc(II).

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Poly[di-μ(2)-acetato-diaquabis(2,2'-bi-pyridine)bis(μ(3)-5-nitroisophthalato)tricobalt(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Poly[bis-(μ(3)-5-nitro-isophthalato)bis-(1,10-phenanthroline)dimanganese(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20090401

Title: Methyl 3-carboxy-5-nitrobenzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Triaqua-(2,2'-bipyridine)(5-nitro-isophthal-ato-κO)nickel(II) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour.

Journal: Dalton transactions (Cambridge, England : 2003) 20081221

Title: Triaqua-(2,2'-bipyridine-κN,N')(5-nitro-isophthalato-κO)zinc(II) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: catena-Poly[[aqua-(2,2'-bipyridine-κN,N')copper(II)]-μ-5-nitro-isophthalato-κO,O:O].

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: catena-Poly[[aqua-(2,2'-bipyridyl)cobalt(II)]-μ-5-nitro-isophthalato].

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: (E)-5,5'-(Diazene-1,2-di-yl)diisophthalic acid N,N-dimethyl-formamide disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: 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.

Journal: Dalton transactions (Cambridge, England : 2003) 20081021

Title: The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids.

Journal: Acta crystallographica. Section C, Crystal structure communications 20080301

Title: 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].

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Poly[[mu2-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-mu2,mu4-5-nitro-1,3-benzenedicarboxylato].

Journal: Acta crystallographica. Section C, Crystal structure communications 20041101

Title: 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+.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020801

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