9-Anthracenemethanol - CAS 1468-95-7

Catalog:	BB010134
Product Name:	9-Anthracenemethanol
CAS:	1468-95-7
Synonyms:	anthracen-9-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	anthracen-9-ylmethanol
Description:	9-Anthracenemethanol (CAS# 1468-95-7) is an anthracene derivative used in Diels-Alder reactions.
Molecular Weight:	208.26
Molecular Formula:	C15H12O
Canonical SMILES:	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO
InChI:	InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
InChI Key:	JCJNNHDZTLRSGN-UHFFFAOYSA-N
Boiling Point:	423.4 ℃ at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.214 g/cm³
Appearance:	Light yellow solid
MDL:	MFCD00001264
LogP:	3.48530
Vapor Pressure:	0.00000005 [mmHg]

Publication Number	Title	Priority Date
US-11034664-B1	Synthesis of cyclic carbonate monomers	20200511
EP-3838969-A1	Two-steps light and heat curable resin composition	20191220
WO-2021122699-A1	Two-steps light and heat curable resin composition	20191220
WO-2021083632-A1	Composition curable cationically in a moisture-induced manner, use of the composition and method of joining, encapsulating and coating substrates	20191031
WO-2021071876-A1	Photolytic compounds and triplet-triplet annihilation mediated photolysis	20191010

PMID	Publication Date	Title	Journal
22885894	20121001	Experimental and DFT studies on the vibrational and electronic spectra of 9-anthracenemethanol	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22899180	20120924	Self-assembled Pd6 open cage with triimidazole walls and the use of its confined nanospace for catalytic Knoevenagel- and Diels-Alder reactions in aqueous medium	Chemistry (Weinheim an der Bergstrasse, Germany)
22492467	20120514	Heteroleptic silylamido phenolate complexes of calcium and the larger alkaline earth metals: β-agostic Ae⋅⋅⋅Si-H stabilization and activity in the ring-opening polymerization of L-lactide	Chemistry (Weinheim an der Bergstrasse, Germany)
22224461	20120202	Viscosity dependence of intra- and intermolecular Diels-Alder reactions	The journal of physical chemistry. A
22116165	20120121	Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.088815002
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8