2-Anthracenecarboxylic Acid - CAS 613-08-1

Catalog:	BB031049
Product Name:	2-Anthracenecarboxylic Acid
CAS:	613-08-1
Synonyms:	2-anthracenecarboxylic acid; anthracene-2-carboxylic acid

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Computed Properties

IUPAC Name:	anthracene-2-carboxylic acid
Description:	2-Anthracenecarboxylic Acid (CAS# 613-08-1) is a useful reagent for the preparation of aromatic nitriles.
Molecular Weight:	222.24
Molecular Formula:	C15H10O2
Canonical SMILES:	C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O
InChI:	InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
InChI Key:	RZRJYURCNBXIST-UHFFFAOYSA-N
Boiling Point:	435.4 °C at 760 mmHg
Density:	1.305 g/cm³
Solubility:	Other solvents(Soluble) : Dimethylformamide(DMF)
Appearance:	Yellow crystalline powder
LogP:	3.69120

Publication Number	Title	Priority Date
CN-112680052-A	Anti-reflective coating composition and application thereof	20201223
CN-111233696-B	Binamide derivative, preparation method thereof and application thereof in preparation of fluorescent material	20200121
US-2021096465-A1	Polymer, chemically amplified resist composition and patterning process	20190926
WO-2021058969-A1	Triphenylene derivatives for use in imaging biological tissue or fluid	20190924
WO-2021058970-A1	Polymers	20190924

PMID	Publication Date	Title	Journal
22864526	20120921	Strictly diastereocontrolled photocyclodimerization of 2-anthracenecarboxylates tethered to cyclic tetrasaccharides	Chemical communications (Cambridge, England)
22966912	20120921	Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid via competitive binary/ternary hydrogen-bonded complexes with 4-benzamidoprolinol	Organic letters
21879125	20111021	Chiral ionic liquid-mediated photochirogenesis. Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid	Organic & biomolecular chemistry
21819058	20110907	Dual supramolecular photochirogenesis: ultimate stereocontrol of photocyclodimerization by a chiral scaffold and confining host	Journal of the American Chemical Society
21556419	20110628	Wavelength-controlled supramolecular photocyclodimerization of anthracenecarboxylate mediated by γ-cyclodextrins	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.068079557
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5