9H-フルオレン-9,9-ジメタノール

9H-Fluorene-9,9-dimethanol

HCID 345022CAS 4425-93-8

部分構造検索類似構造を探す

基本情報

標準SMILES: OCC1(CO)c2ccccc2-c2ccccc21
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
分子式: C15H14O2
平均分子量: 226.27 g/mol
単同位体質量: 226.09937969

名称と識別子

優先名称: 9H-Fluorene-9,9-dimethanol
IUPAC: [9-(hydroxymethyl)fluoren-9-yl]methanol
現地名: 9H-フルオレン-9,9-ジメタノール
英語名: 9H-FLUORENE-9,9-DIMETHANOL
分子式: C15H14O2
分子量: 226.27

名称と別名

9H-Fluorene-9,9-dimethanol4425-93-8DTXSID50322885RefChem:108251DTXCID20274004610-170-3[9-(hydroxymethyl)fluoren-9-yl]methanolMFCD01321348(9H-fluorene-9,9-diyl)dimethanol(9-Hydroxymethyl-9H-fluoren-9-yl)-methanolNSC 4022309,9-di(hydroxymethyl)fluorene

名称をさらに表示

9H-フルオレン-9,9-ジメタノール9HH-Fluorene-9,9-dimethanol

9,9-bis(hydroxymethyl)fluorene9,9-bis(hydroxymethyl)-fluoreneSB37204DS-15155C75196Fluorene-9,9-dimethanolAMY18620Fluorene-9,9-di

データベース識別子

CAS: 4425-93-8
PubChem CID: 345022
DTXSID: DTXSID50322885
EC Number: 610-170-3
Nikkaji: J2.027.573A

物性

構造計算による物性

XLogP: 2
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 248

物理化学的性質

融点: 142 · 142-145 °C(lit.)
沸点: 422.8 · 422.8±18.0 °C(Predicted)
比重(密度): 1.23 · 1.230±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 14.17 · 14.17±0.10(Predicted)
InChI: InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
SMILES: C1(CO)(CO)C2=C(C=CC=C2)C2=C1C=CC=C2
LogP: 7 · 7

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 41 reports by companies.；There is 1 notification provided by 39 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

法規制情報

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

安全データ

wgk: 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用9H-Fluorene-9,9-dimethanol may be used in the synthesis of:4,4′-(9H-fluorene-9-yl-dimethoxy)diphthalonitrile]poly- [oxy(9H-fluoren-9,9-dimethylene)oxy(tetramethyldisilylene)]9,9-(Ph2POCH2)2-fluorene, a diphosphinite ligand

一般的な説明9H-Fluorene-9,9-dimethanol is an aryldiol.