Chloranilic acid - CAS 87-88-7
Catalog: |
BB038670 |
Product Name: |
Chloranilic acid |
CAS: |
87-88-7 |
Synonyms: |
2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione |
IUPAC Name: | 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione |
Description: | Chloranilic acid (CAS# 87-88-7) is a useful research chemical compound. |
Molecular Weight: | 208.98 |
Molecular Formula: | C6H2Cl2O4 |
Canonical SMILES: | C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O |
InChI: | InChI=1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H |
InChI Key: | IPPWILKGXFOXHO-UHFFFAOYSA-N |
Boiling Point: | 300.3 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.93 g/cm3 |
Appearance: | Dark orange to red solid |
LogP: | 1.15500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111624060-A | Flue gas sulfur trioxide sampling equipment and method | 20200623 |
CN-212391300-U | Sulfur trioxide sampling equipment for flue gas | 20200623 |
CN-111518397-A | Application of metal organic framework material composite matrix membrane as flexible direct ray detection material | 20200509 |
WO-2021184082-A1 | In-field colour test for screening fentanyl and analogues thereof | 20200320 |
CN-111253381-A | Photochromic ligand, Re (I) rectangular supramolecular complex, and preparation method and application thereof | 20200221 |
PMID | Publication Date | Title | Journal |
22580135 | 20120901 | Spectrophotometric, FTIR and theoretical studies of the charge-transfer complexes between isoniazid (pyridine-4-carboxylic acid hydrazide) and the acceptors (p-chloranil, chloranilic acid and tetracyanoethylene) in acetonitrile, their association constants, thermodynamic properties and other related properties | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22446770 | 20120615 | Spectrophotometric, Fourier transform infrared spectroscopic and theoretical studies of the charge-transfer complexes between methyldopa [(S)-2 amino-3-(3,4-dihydroxyphenyl)-2-methyl propanoic acid] and the acceptors (chloranilic acid, o-chloranil and dichlorodicyanobenzoquinone) in acetonitrile and their thermodynamic properties | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22392820 | 20120601 | Self-assembled hexanuclear organometallic cages: synthesis, characterization, and host-guest properties | Chemistry, an Asian journal |
22589908 | 20120401 | Triprolidinium dichloranilate-chloranilic acid-methanol-water (2/1/2/2) | Acta crystallographica. Section E, Structure reports online |
22142304 | 20120118 | Ferroelectricity and pressure-induced phenomena driven by neutral ionic valence instability of acid-base supramolecules | Journal of the American Chemical Society |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9330139 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9330139 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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