9-Anthracenemethanol (HCID 73848)

概要

structure given in first source

名称と識別子

優先名称: 9-Anthracenemethanol
IUPAC: anthracen-9-ylmethanol
現地名: 9-(ヒドロキシメチル)アントラセン
英語名: 9-Anthracenemethanol
分子式: C15H12O
分子量: 208.26

名称と別名

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

名称をさらに表示

9-(ヒドロキシメチル)アントラセンアントラセン-9-メタノール(9-アントリル)メタノール9-アントリルメタノール9-アントラセンメタノール9-ヒドロキシメチルアントラセン9-アントラシンメチルアルコル9‐アントラセンメタノール9-AMAKOS B023870RARECHEM AL BD 0006ART-CHEM-BB B023870

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 216

実験および物理化学的性質

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

LogP3.04

Vapor Pressure0.00000005 [mmHg]

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 162 · 162-164 °C(lit.)
沸点: 307.46 °C · 307.46°C (rough estimate)
比重(密度): 1.0459 · 1.0459 (rough estimate)
屈折率: 1.5361 · 1.5361 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 熱メタノールに可溶非常にかすかな濁り。
酸解離定数(Pka): 14.36 · 14.36±0.10(Predicted)
外見: 結晶性粉末
色: 黄色
BRN: 1873402 · 1873402
安定性: 安定。酸化剤と相容れない。
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 データベース: 1468 · 1468-95-7(CAS DataBase Reference)
NISTの化学物質情報: 9 · 9-Anthracenemethanol(1468-95-7)
EPAの化学物質情報: 9 · 9-Anthracenemethanol (1468-95-7)

化学的性質

化学的特性It is a colorless or light yellow solid that is soluble in ordinary organic solvents.

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

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%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CB0577500
毒性: mic-bac-sat 390 mmol/L CRNGDP 15,2605,94
hs_code: 29062900
risk_code: 20/21/22-36/37/38
安衛法: 変異原性物質
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information9-Anthracenemethanol: ACTIVE

応用分野 · 3 件

用途有機合成中間体

使用9-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.

一般的な説明9-Anthracenemethanol participates in ring-opening polymerization of L-lactide catalyzed by alumoxane. It undergoes proton exchange reaction with potassium tert-butoxide to yield potassium 9-anthracenemethoxide.