3,5,6-Trichlorosalicylic Acid - CAS 40932-60-3

Catalog:	BB024722
Product Name:	3,5,6-Trichlorosalicylic Acid
CAS:	40932-60-3
Synonyms:	2,3,5-trichloro-6-hydroxybenzoic acid; 2,3,5-trichloro-6-hydroxybenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,5-trichloro-6-hydroxybenzoic acid
Description:	3,5,6-Trichlorosalicylic Acid (CAS# 40932-60-3) is a useful research chemical.
Molecular Weight:	241.46
Molecular Formula:	C7H3Cl3O3
Canonical SMILES:	C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)O)Cl
InChI:	InChI=1S/C7H3Cl3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)
InChI Key:	IIHCUZVBIMTHEB-UHFFFAOYSA-N
Boiling Point:	335 °C at 760 mmHg
Density:	1.772 g/cm³
MDL:	MFCD00075245
LogP:	3.05060

Publication Number	Title	Priority Date
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021019074-A1	Colour change composition and compounds	20190731
CN-110229104-A	The method of luxuriant titanium/bronsted acid catalysis arylamine and Î± -one Lipase absobed Tetrahydroquinolinesas	20190618
CN-108689983-B	5,7, 8-trichloro-1, 3-dihydroxy xanthone compound, preparation method and application	20180705
CN-109763138-A	A kind of preparation method of 3,6- dichlorosalicylic acid	20171109

PMID	Publication Date	Title	Journal
21243413	20110501	On the photophysics of 3,5,6-Trichlorosalicylic acid: spectroscopic study combined with Hartree-Fock and Density Functional Theory calculations	Journal of fluorescence
20943227	20110101	Constrained photophysics of an ESIPT probe within β-cyclodextrin nanocavity and chaotrope-induced perturbation of the binding phenomenon: implication towards hydrophobic interaction mechanism between urea and the molecular probe	Journal of colloid and interface science
16332130	20051214	Salicylate activity. 3. Structure relationship to systemic acquired resistance	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.914777
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.914777
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9