Home Carboxys 1,4-Naphthalenedicarboxylic acid

1,4-Naphthalenedicarboxylic acid

CAS No.:
605-70-9
Catalog Number:
AG003DP9
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$94
- +
500g
97%
In Stock USA
United States
$294
- +
Product Description
Catalog Number:
AG003DP9
Chemical Name:
1,4-Naphthalenedicarboxylic acid
CAS Number:
605-70-9
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD00014312
IUPAC Name:
naphthalene-1,4-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChI Key:
ABMFBCRYHDZLRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cccc2)C(=O)O
EC Number:
210-094-7
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid. Dalton transactions (Cambridge, England : 2003) 20120921
Microenvironmental control of enantiodifferentiating photocyclization of 5-hydroxy-1,1-diphenylpentene through selective solvation. Chirality 20120501
Bis[μ-1,2-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]disilver(I) bis-(4-carb-oxy-naphthalene-1-carboxyl-ate) tetra-hydrate. Acta crystallographica. Section E, Structure reports online 20110601
Poly[aqua-bis(μ(4)-naphthalene-1,4-di-carboxyl-ato)(1,10-phenanthroline-5,6-dione)dimanganese(II)]. Acta crystallographica. Section E, Structure reports online 20091201
A novel parallel interpenetrating two-dimensional (4,4) network: poly[[mu2-1,4-bis(imidazol-1-ylmethyl)benzene](mu2-naphthalene-1,4-dicarboxylato)zinc(II)]. Acta crystallographica. Section C, Crystal structure communications 20090901
Hexakis(1H-imidazole-κN)cobalt(II) triaqua-tris(1H-imidazole-κN)cobalt(II) bis-(naphthalene-1,4-dicarboxyl-ate). Acta crystallographica. Section E, Structure reports online 20090701
Poly[(μ-4,4'-bipyridine)(μ-naphthalene-1,4-dicarboxyl-ato)manganese(II)]. Acta crystallographica. Section E, Structure reports online 20090401
Poly[(μ(6)-naphthalene-1,4-dicarboxyl-ato-κO:O:O:O:O:O)iron(II)]. Acta crystallographica. Section E, Structure reports online 20090101
Poly[(μ-4,4'-bipyridine)(μ-naph-tha-lene-1,4-dicarboxyl-ato)iron(II)]. Acta crystallographica. Section E, Structure reports online 20090101
Poly[μ(2)-aqua-[μ(2)-1,1'-(butane-1,4-di-yl)diimidazole]bis-(μ(4)-naphthalene-1,4-dicarboxyl-ato)dimanganese(II)]. Acta crystallographica. Section E, Structure reports online 20081201
Poly[μ-aqua-[μ-1,1'-(butane-1,4-di-yl)diimidazole]bis-(μ(4)-naphthalene-1,4-dicarboxyl-ato)dicadmium(II)]. Acta crystallographica. Section E, Structure reports online 20081201
1-(4-Methyl-1-naphth-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20081201
A six-connected alpha-polonium net based on tetranuclear Cd(II) nodes. Acta crystallographica. Section C, Crystal structure communications 20081001
Storage and sorption properties of acetylene in jungle-gym-like open frameworks. Chemistry, an Asian journal 20080901
Poly[aqua-[μ(2)-1,1'-(butane-1,4-di-yl)diimidazole](μ(2)-naphthalene-1,4-dicarboxyl-ato)nickel(II)]. Acta crystallographica. Section E, Structure reports online 20080901
catena-Poly[[[bis-[4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthren-2-yl)phenol-κN,N]manganese(II)]-μ-naphthalene-1,4-dicarboxyl-ato-κO:O] naphthalene-1,4-dicarboxylic acid hemisolvate monohydrate]. Acta crystallographica. Section E, Structure reports online 20080501
Poly[[μ(4)-naphthalene-1,4-dicarboxyl-ato-κO:O':O'':O'''-μ(2)-naphthalene-1,4-dicarboxyl-ato-κO,O':O'',O'''-bis-(2-phenyl-1H-1,3,7,8-tetra-azacyclopenta-[l]phenanthrene-κN,N)dimanganese(II)] N,N-dimethyl-formamide solvate]. Acta crystallographica. Section E, Structure reports online 20080501
Poly[di-μ(5)-adipato-κO:O':O'':O''',O'''-μ(4)-adipato-κO:O':O'':O'''-bis-[2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-κN,N]tricobalt(II)]. Acta crystallographica. Section E, Structure reports online 20080501
(6,3)-honeycomb structures of uranium(VI) benzenedicarboxylate derivatives: the use of noncovalent interactions to prevent interpenetration. Inorganic chemistry 20070806
Structures, photoluminescence, up-conversion, and magnetism of 2D and 3D rare-earth coordination polymers with multicarboxylate linkages. Inorganic chemistry 20060403
Diversity in magnetic properties of 3D isomorphous networks of Co(II) and Mn(II) constructed by napthalene-1,4-dicarboxylate. Chemical communications (Cambridge, England) 20050928
Synthesis, X-ray crystal structures, and gas sorption properties of pillared square grid nets based on paddle-wheel motifs: implications for hydrogen storage in porous materials. Chemistry (Weinheim an der Bergstrasse, Germany) 20050606
Enantiodifferentiating photoaddition of alcohols to 1,1-diphenylpropene in supercritical carbon dioxide: sudden jump of optical yield at the critical density. Journal of the American Chemical Society 20040602
Synthesis and characterization of two novel lanthanide coordination polymers with an open framework based on an unprecedented [Ln(7)(micro(3)-OH)(8)](13+) cluster. Inorganic chemistry 20040308
Properties