9-Anthracenmethanol

9-Anthracenemethanol

HCID 73848CAS 1468-95-7

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Grundinformationen

Standard-SMILES: OCc1c2ccccc2cc2ccccc12
InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N
Summenformel: C15H12O
Durchschnittliche Molmasse: 208,25 g/mol
Monoisotopische Masse: 208,088815

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 9-Anthracenemethanol
IUPAC: anthracen-9-ylmethanol
Lokaler Name: 9-Anthracenmethanol
Englischer Name: 9-Anthracenemethanol
Summenformel: C15H12O
Molmasse: 208.26

Namen und Synonyme

9-Anthracenemethanol1468-95-79-(Hydroxymethyl)anthracene9-Hydroxymethylanthracene9-Anthrylcarbinol9-Anthrylmethanol9-MethylolanthraceneDTXSID10492212N7UVX2HLMNSC-241166DTXCID30290779-OHMA

Weitere Namen anzeigen

9-AMAKOS B023870RARECHEM AL BD 0006ART-CHEM-BB B023870

RefChem:549181215-998-5anthracen-9-ylmethanol9-anthracene methanolAnthracene-9-carbinol9-HydroxymethylantraceneNSC 241166MFCD00001264

Datenbank-Bezeichner

CAS: 1468-95-7
PubChem CID: 73848
DTXSID: DTXSID1049221
ChEMBL: CHEMBL3188668
UNII: 2N7UVX2HLM
EC Number: 215-998-5
Nikkaji: J131G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 216

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

LogP3.04

Vapor Pressure0.00000005 [mmHg]

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 162 · 162-164 °C(lit.)
Siedepunkt: 307.46 °C · 307.46°C (rough estimate)
Dichte: 1.0459 · 1.0459 (rough estimate)
Brechungsindex: 1.5361 · 1.5361 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in hot methanol very faint turbidity.
pka: 14.36 · 14.36±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Yellow
BRN: 1873402 · 1873402
Stabilität: Stable. Incompatible with oxidizing agents.
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
InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N
SMILES: OCc1c2ccccc2cc3ccccc13
CAS Datenbank: 1468 · 1468-95-7(CAS DataBase Reference)
NIST chemische Informationen: 9 · 9-Anthracenemethanol(1468-95-7)
EPA chemische Informationen: 9 · 9-Anthracenemethanol (1468-95-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22743

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29062900
RTECS-Nr.: CB0577500
risk_code: 20/21/22-36/37/38
Toxizität: mic-bac-sat 390 mmol/L CRNGDP 15,2605,94
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9-Anthracenemethanol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden9-Anthracenemethanol can be used:As a starting material to prepare 9-anthracenylmethyl-1-piperazinecarboxylate, which acts as a reagent in the determination of isocyanates using HPLC.In the Diels-Alder reaction with dimethylacetylene-dicarboxylate to yield lactone derivatives.As an initiator in the ring-opening polymerization of δ-valerolactone to yield poly(δ-valerolactone).As a starting material in the synthesis of polymer-supported anthracene, which acts as a dienophile scavenger in cycloaddition reactions.

Darstellung

synthetische9-Anthracenemethanol is synthesized by hydrogenation of 9-anthracenecarboxaldehyde. It is a versatile precursor to supramolecular assemblies.