2-(ベンジルオキシ)フェノール

2-Benzyloxyphenol

HCID 80459CAS 6272-38-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Oc1ccccc1OCc1ccccc1
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
分子式: C13H12O2
平均分子量: 200.23 g/mol
単同位体質量: 200.08372962

名称と識別子

優先名称: 2-Benzyloxyphenol
IUPAC: 2-phenylmethoxyphenol
現地名: 2-(ベンジルオキシ)フェノール
英語名: 2-Benzyloxyphenol
分子式: C13H12O2
分子量: 200.23

名称と別名

2-BenzyloxyphenolEINECS 228-461-5DTXSID50211801NSC 37426NSC 72669RefChem:465716DTXCID40134292228-461-52-(Benzyloxy)phenol6272-38-42-phenylmethoxyphenolPhenol, 2-(phenylmethoxy)-

名称をさらに表示

2-(ベンジルオキシ)フェノール2-(フェニルメトキシ)フェノールピロカテコールモノベンジルエーテルカテコールモノベンジルエーテル2-ベンジルオキシフェノール2-Benzyloxy2-(Denzyloxy)phenol2-Benzyloxyphenol,98%Phenol, o-(benzyloxy)-2-(Benzyloxy)phenol 96%2-(Benzyloxy)phenol >CATECHOL MONOBENZYL ETHER

MFCD00002186benzyloxyphenol2-(phenylmethoxy)phenolBenzyl o-hydroxyphenyl ether2-Benzyloxy-phenolo-(Benzyloxy)phenolNSC-37426NSC-72669

データベース識別子

CAS: 6272-38-4
PubChem CID: 80459
DTXSID: DTXSID50211801
ChEMBL: CHEMBL4442258
UNII: TG82JJC4JK
EC Number: 228-461-5
Nikkaji: J211.510G

物性

構造計算による物性

XLogP: 2.7
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 35 · 35-40°C
沸点: 215 °C · 215 °C / 20mmHg
比重(密度): 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.591(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体または低融点
酸解離定数(Pka): 9.65 · 9.65±0.30(Predicted)
色: 無色～淡黄色
水溶解度: アルコール、ベンゼン、ジエチルエーテルに可溶。水に不溶。
InChI: 1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
SMILES: Oc1ccccc1OCc2ccccc2
CAS データベース: 6272 · 6272-38-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Phenol, 2-(phenylmethoxy)-(6272-38-4)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

wgk: 1
hs_code: 29095000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用2-Benzyloxyphenol is used in the synthesis of 2-(benzyloxy)hydroquinone and also used to prepare sequential polypeptides.It is used as reagent for synthesis of multidentate chelating ligands. It is also used in chemicals, pharmaceutical research and also acts a pharmaceutical intermediate.