1,4-Cubanedicarboxylic acid - CAS 32846-66-5

Name: 1,4-Cubanedicarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	cubane-1,4-dicarboxylic acid
Description:	1,4-Cubanedicarboxylic acid (CAS# 32846-66-5) is a metal-organic framework. 1,4-Cubanedicarboxylic acid is used in the preparation of pH-sensitive hydrogels for oral delivery of hydrophobic drugs and in the synthesis of cubane-based chiral Schiff base ligands.
Molecular Weight:	192.17
Molecular Formula:	C10H8O4
Canonical SMILES:	C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O
InChI:	InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)
InChI Key:	JFKXMJUMOJJTCQ-UHFFFAOYSA-N
Boiling Point:	457.4 °C at 760 mmHg
Purity:	95 %
Density:	2.401 g/cm³
LogP:	-0.10640

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
JP-2021084958-A	adhesive	20191127
WO-2021028297-A1	Low dielectric constant siliceous film manufacturing composition and methods for producing cured film and electronic device using the same	20190809
JP-2020055960-A	Polymerizable composition	20181003
JP-6939746-B2	Polymerizable composition	20181003
JP-2020041108-A	Active energy ray polymerizable adhesive for optics and laminate for optics	20180913

PMID	Publication Date	Title	Journal
20141506	20100401	Novel pH-sensitive hydrogels for colon-specific drug delivery	Drug delivery
19016070	20090101	New terpolymers as hydrogels for oral protein delivery application	Journal of drug targeting
16025474	20051001	Using pH-sensitive hydrogels containing cubane as a crosslinking agent for oral delivery of insulin	Journal of biomedical materials research. Part B, Applied biomaterials
11471719	20010701	NMR study on the interaction of 1,4-cubanedicarboxylic acid and its esters with elemental fluorine. The synthesis of dimethyl 2-fluorocubane-1,4-dicarboxylate	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	356
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04225873
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7