603-11-2,MFCD00007138
Catalog No.:AA003JR0

603-11-2 | 3-Nitrophthalic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$6.00   $4.00
- +
100g
98%
in stock  
$7.00   $5.00
- +
500g
98%
in stock  
$21.00   $15.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003JR0
Chemical Name:
3-Nitrophthalic acid
CAS Number:
603-11-2
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007138
SMILES:
OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NSC Number:
3120
Properties
Properties
 
BP:
441.3°C at 760 mmHg  
Form:
Solid  
MP:
210 °C (dec.)(lit.)  
Refractive Index:
1.5282 (estimate)  
Solubility:
water: soluble5%, clear to slightly hazy, colorless to faint yellow or tan  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
296  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Literature

Title: Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.

Journal: Dalton transactions (Cambridge, England : 2003) 20120828

Title: catena-Poly[[bis-(1-methyl-1H-imidazole-κN)zinc]-μ-3-nitro-phthalato-κO:O].

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

Title: Bis(μ-3-nitro-phthalato-κO:O)bis-[(thio-urea-κS)zinc] dihydrate.

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

Title: catena-Poly[[(2,2'-bipyridine-κN,N')cadmium]-μ(3)-4-nitro-phthalato-κO:O',O'':O'''].

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Poly[μ(2)-aqua-diaqua-(μ(8)-3-nitro-benzene-1,2-dicarboxylato)(μ(6)-3-nitro-benzene-1,2-dicarboxylato)tetra-sodium].

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: Bis(μ-3-nitro-phthalato-κO:O)bis-[aqua-(2,2'-bipyridine-κN,N')copper(II)] dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: 4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20100301

Title: Poly[[diaqua(mu3-3-nitrophthalato)calcium(II)] monohydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications 20091001

Title: [Spectroscopy and thermostability of series rare-earth complexes with 3-nitrophthalic acid].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20091001

Title: (μ-4,4'-Bipyridine-κN:N')bis-[triaqua-(4,4'-bipyridine-κN)(3-nitro-phthalato-κO)cobalt(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide.

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: Poly[[di-mu-aqua-tetraaquadi-mu-hydroxido-bis(mu3-3-nitrophthalato)tricopper(II)] dihydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications 20090101

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: 3-iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O-H...O and N-H...O hydrogen bonds and a two-centre iodo-nitro interaction.

Journal: Acta crystallographica. Section C, Crystal structure communications 20050401

Title: 4-iodoanilinium 3-nitrophthalate(1-): tripartite sheets built from O-H...O and N-H...O hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030901

Title: Fate of isoxaben in a containerized plant rhizosphere system.

Journal: Chemosphere 20030301

Title: 3-nitrophthalic acid: C(4) and R(2)(2)(8) motifs of O-H...O hydrogen bonds generate sheets which are linked by C-H...O hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030301

Title: Degradation of isoxaben in soils and an aqueous system.

Journal: Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20011101

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SDS
Tags:603-11-2 Molecular Formula|603-11-2 MDL|603-11-2 SMILES|603-11-2 3-Nitrophthalic acid
Catalog No.: AA003JR0
603-11-2,MFCD00007138
603-11-2 | 3-Nitrophthalic acid
Pack Size: 25g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 100g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 500g
Purity: 98%
in stock
$21.00 $15.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003JR0
Chemical Name: 3-Nitrophthalic acid
CAS Number: 603-11-2
Molecular Formula: C8H5NO6
Molecular Weight: 211.1284
MDL Number: MFCD00007138
SMILES: OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NSC Number: 3120
Properties
BP: 441.3°C at 760 mmHg  
Form: Solid  
MP: 210 °C (dec.)(lit.)  
Refractive Index: 1.5282 (estimate)  
Solubility: water: soluble5%, clear to slightly hazy, colorless to faint yellow or tan  
Storage: Keep in dry area;2-8℃;  
Complexity: 296  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Literature fold

Title: Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.

Journal: Dalton transactions (Cambridge, England : 2003)20120828

Title: catena-Poly[[bis-(1-methyl-1H-imidazole-κN)zinc]-μ-3-nitro-phthalato-κO:O].

Journal: Acta crystallographica. Section E, Structure reports online20120301

Title: Bis(μ-3-nitro-phthalato-κO:O)bis-[(thio-urea-κS)zinc] dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online20120301

Title: catena-Poly[[(2,2'-bipyridine-κN,N')cadmium]-μ(3)-4-nitro-phthalato-κO:O',O'':O'''].

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: Poly[μ(2)-aqua-diaqua-(μ(8)-3-nitro-benzene-1,2-dicarboxylato)(μ(6)-3-nitro-benzene-1,2-dicarboxylato)tetra-sodium].

Journal: Acta crystallographica. Section E, Structure reports online20101201

Title: Bis(μ-3-nitro-phthalato-κO:O)bis-[aqua-(2,2'-bipyridine-κN,N')copper(II)] dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online20101101

Title: 4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

Journal: Acta crystallographica. Section E, Structure reports online20100301

Title: Poly[[diaqua(mu3-3-nitrophthalato)calcium(II)] monohydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications20091001

Title: [Spectroscopy and thermostability of series rare-earth complexes with 3-nitrophthalic acid].

Journal: Guang pu xue yu guang pu fen xi = Guang pu20091001

Title: (μ-4,4'-Bipyridine-κN:N')bis-[triaqua-(4,4'-bipyridine-κN)(3-nitro-phthalato-κO)cobalt(II)].

Journal: Acta crystallographica. Section E, Structure reports online20090801

Title: A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide.

Journal: Acta crystallographica. Section E, Structure reports online20090701

Title: Poly[[di-mu-aqua-tetraaquadi-mu-hydroxido-bis(mu3-3-nitrophthalato)tricopper(II)] dihydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications20090101

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 communications20080301

Title: 3-iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O-H...O and N-H...O hydrogen bonds and a two-centre iodo-nitro interaction.

Journal: Acta crystallographica. Section C, Crystal structure communications20050401

Title: 4-iodoanilinium 3-nitrophthalate(1-): tripartite sheets built from O-H...O and N-H...O hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications20030901

Title: Fate of isoxaben in a containerized plant rhizosphere system.

Journal: Chemosphere20030301

Title: 3-nitrophthalic acid: C(4) and R(2)(2)(8) motifs of O-H...O hydrogen bonds generate sheets which are linked by C-H...O hydrogen bonds.

Journal: Acta crystallographica. Section C, Crystal structure communications20030301

Title: Degradation of isoxaben in soils and an aqueous system.

Journal: Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes20011101

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