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
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 °C (Predicted)
Melting Point
344 °C (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.
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.) |
