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499-49-0,MFCD00013986
Catalog No.:AA003MTG

499-49-0 | 5-Methylisophthalic acid

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5g
97%
in stock  
$6.00   $4.00
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10g
97%
in stock  
$8.00   $6.00
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25g
97%
in stock  
$18.00   $13.00
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100g
97%
in stock  
$58.00   $41.00
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500g
97%
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$285.00   $199.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MTG
Chemical Name:
5-Methylisophthalic acid
CAS Number:
499-49-0
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00013986
SMILES:
Cc1cc(cc(c1)C(=O)O)C(=O)O
NSC Number:
41436
Properties
Properties
 
BP:
408.7°C at 760 mmHg  
Form:
Solid  
MP:
299-303 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]HelveticaChimicaActa,1935,vol.18,p.831,833,838

[1]JustusLiebigsAnnalenderChemie,1868,vol.147,p.296

[1]JournaloftheAmericanChemicalSociety,1994,vol.116,p.6245-6251

[2]JustusLiebigsAnnalenderChemie,1868,vol.147,p.296

[3]InorganicaChimicaActa,2016,vol.446,p.198-202

[1]JustusLiebigsAnnalenderChemie,1868,vol.147,p.296

[2]JustusLiebigsAnnalenderChemie,1899,vol.305,p.137,140

[1]JournaloftheAmericanChemicalSociety,1917,vol.39,p.2675

Literature

Title: Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(II) units.

Journal: Dalton transactions (Cambridge, England : 2003) 20120221

Title: Structure and photoluminescence tuning features of Mn(2+)- and Ln(3+)-activated Zn-based heterometal-organic frameworks (MOFs) with a single 5-methylisophthalic acid ligand.

Journal: Inorganic chemistry 20111017

Title: catena-Poly[[aqua-[1,4-bis-(1H-imidazol-4-yl)benzene]cadmium]-μ(3)-5-methyl-isophthalato].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Poly[[μ-1,4-bis-(1H-imidazol-4-yl)benzene-κN:N](μ-5-methyl-isophthalato-κO:O)cobalt(II)].

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

Title: Unique Zn(II) coordination entanglement networks with a flexible fluorinated bis-pyridinecarboxamide tecton and benzenedicarboxylates.

Journal: Chemical communications (Cambridge, England) 20101128

Title: Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.

Journal: Dalton transactions (Cambridge, England : 2003) 20100307

Title: Isoreticular metal-organic polyhedral networks based on 5-connecting paddlewheel motifs.

Journal: Inorganic chemistry 20090302

Title: Targeted synthesis of a prototype MOF based on Zn4(O)(O2C)6 units and a nonlinear dicarboxylate ligand.

Journal: Inorganic chemistry 20090119

Title: catena-Poly[[(1,10-phenanthroline)manganese(II)]-μ(3)-5-methyl-isophthalato].

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

Title: Low-level self-assembly of open framework based on three different polyhedra: metal-organic analogue of face-centered cubic dodecaboride.

Journal: Journal of the American Chemical Society 20080123

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