1,3-Adamantanedicarboxylic Acid

Product Information

Molecular Formula:
C12H16O4
Molecular Weight:
224.25
Description
1,3-Adamantanedicarboxylic Acid (CAS# 39269-10-8) is a monomer that can be used in polymer science, self assembly and lithography.
Synonyms
adamantane-1,3-dicarboxylic acid; adamantane-1,3-dicarboxylic acid
IUPAC Name
adamantane-1,3-dicarboxylic acid
Canonical SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)O
InChI
InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChI Key
PAVQGHWQOQZQEH-UHFFFAOYSA-N
Boiling Point
380.6±15.0 ℃ (Predicted)
Melting Point
344 ℃ (dec.)
Purity
> 97.0 % (GC) (T)
Density
1.461±0.06 g/cm3(Predicted)
Appearance
White to light yellow powder to crystal
Storage
Store under inert gas
LogP
1.74220

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

XLogP3
1.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
224.10485899 g/mol
Monoisotopic Mass
224.10485899 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
327
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113861804-A Amino adamantane-graphene modified epoxy resin coating and preparation method thereof 2021-11-22
CN-114044913-A Metal-organic framework material and preparation method thereof 2021-10-25
JP-2022009369-A Deodorant for daily life odor 2021-10-21
CN-113336956-A Metal-organic pore cobalt compound, preparation method and application thereof 2021-04-12
JP-2021073513-A A liquid crystal composition, a method for producing the same, and a retardation film composed of the liquid crystal composition. 2021-01-15
CN-112645923-A Photoresist resin monomer containing photoacid generator and synthetic method thereof 2020-12-23
CN-112745670-A Glass fiber composite material and preparation method thereof 2020-12-16
JP-2022041899-A Resin composition, resin film and display device 2020-08-31
JP-2022041900-A Laminates and display devices 2020-08-31
JP-2022041901-A Laminates and display devices 2020-08-31

Literatures

PMID Publication Date Title Journal
22914759 2012-10-21 Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x--a 3D inorganic hybrid material Dalton transactions (Cambridge, England : 2003)
22051947 2011-11-01 Poly[(μ4-adamantane-1,3-dicarboxylato-κ5O1:O1':O3,O3':O3')(μ3-adamantane-1,3-dicarboxylato-κ5O1,O1':O3,O3':O3')dimagnesium]: a layered coordination polymer Acta crystallographica. Section C, Crystal structure communications
22219785 2011-11-01 catena-Poly[[[aqua-(1,10-phenanthro-line)manganese(II)]-μ-adamantane-1,3-dicarboxyl-ato] monohydrate] Acta crystallographica. Section E, Structure reports online
21836937 2011-07-01 Bis(μ-adamantane-1,3-dicarboxyl-ato-κO,O:O,O)bis-[aqua-(3-carboxy-adam-antane-1-carboxyl-ato-κO)(1,10-phen-an-throline-κN,N')erbium(III)] dihydrate Acta crystallographica. Section E, Structure reports online
20921602 2010-10-01 catena-Poly[thorium(IV)-tetrakis(μ(2)-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding Acta crystallographica. Section C, Crystal structure communications
20533433 2010-07-05 Syntheses and crystal structures of a series of coordination polymers constructed from C2-symmetric ligand 1,3-adamantanedicarboxylic acid Chemistry, an Asian journal
19921052 2009-12-14 New types of di-, tetra-, hexa- and octanuclear Ag(I) complexes containing 1,3-adamantanedicarboxylic acid Dalton transactions (Cambridge, England : 2003)
21582328 2009-03-06 catena-Poly[[diaquacobalt(II)]-bis(μ-3-carboxy-adamantane-1-carboxyl-ato-κO:O)] Acta crystallographica. Section E, Structure reports online
18253002 2008-02-01 Cocrystallization of adamantane-1,3-dicarboxylic acid and 4,4'-bipyridine Acta crystallographica. Section C, Crystal structure communications
11158673 2001-01-26 Capture of a single molecule in a nanocavity Science (New York, N.Y.)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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