trans-1,4-Cyclohexanedicarboxylic acid - CAS 619-82-9
Catalog: |
BB031363 |
Product Name: |
trans-1,4-Cyclohexanedicarboxylic acid |
CAS: |
619-82-9 |
Synonyms: |
cyclohexane-1,4-dicarboxylic acid |
IUPAC Name: | cyclohexane-1,4-dicarboxylic acid |
Description: | trans-1,4-Cyclohexanedicarboxylic acid (CAS# 619-82-9) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | C1CC(CCC1C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
InChI Key: | PXGZQGDTEZPERC-UHFFFAOYSA-N |
Boiling Point: | 384.1 ℃ at 760 mmHg |
Melting Point: | 300 ℃ |
Purity: | > 97.0 % (GC) (T) |
Density: | 1.314 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00066203 |
LogP: | 0.96200 |
GHS Hazard Statement: | H302 (28.95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021137697-A | Cyclic compound separation or purification methods, cyclic compound production methods, separators, and separators | 20200302 |
EP-3842470-A1 | Polyamide moulding compositions for hypochlorite resistant applications | 20191223 |
EP-3842496-A1 | Polyamide moulding compositions for hypochlorite resistant applications | 20191223 |
US-2021187361-A1 | Golf ball | 20191223 |
US-2021189124-A1 | Polyamide molding compounds for hypochlorite-resistant applications | 20191223 |
PMID | Publication Date | Title | Journal |
22945794 | 20121021 | Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker | Dalton transactions (Cambridge, England : 2003) |
21422616 | 20110401 | Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature | Acta crystallographica. Section B, Structural science |
21368415 | 20110301 | Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules | Acta crystallographica. Section C, Crystal structure communications |
21522256 | 20110212 | Bis(μ-cyclo-hexane-1,4-dicarboxyl-ato)bis-{aqua-[1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate | Acta crystallographica. Section E, Structure reports online |
20826823 | 20101112 | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407 | The Journal of biological chemistry |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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