6,7-ジヒドロ-4(5H)-ベンゾフラノン

4,5,6,7-Tetrahydro-1-benzofuran-4-one

HCID 2733541

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 16806-93-2
標準SMILES: O=C1CCCc2occc21
InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N
分子式: C8H8O2
平均分子量: 136.15 g/mol
単同位体質量: 136.0524295

概要

6,7-Dihydro-4(5H)-benzofuranone is a member of benzofurans.

名称と識別子

優先名称: 4,5,6,7-Tetrahydro-1-benzofuran-4-one
IUPAC: 6,7-dihydro-5H-1-benzofuran-4-one
現地名: 6,7-ジヒドロ-4(5H)-ベンゾフラノン
英語名: 6,7-Dihydro-4(5H)-benzofuranone
分子式: C8H8O2
分子量: 136.15

名称と別名

4,5,6,7-tetrahydro-1-benzofuran-4-oneRefChem:507514959-960-216806-93-26,7-Dihydro-4(5H)-benzofuranone6,7-dihydrobenzofuran-4(5H)-one4(5H)-Benzofuranone, 6,7-dihydro-6,7-dihydro-5H-1-benzofuran-4-one6,7-dihydro-1-benzofuran-4(5H)-oneMFCD002155114-oxo-4,5,6,7 -tetrahydrobenzofuranAC-30248

名称をさらに表示

6,7-ジヒドロ-4(5H)-ベンゾフラノン6,7‐ジヒドロ‐4(5H)‐ベンゾフラノン6,7-ジヒドロベンゾフラン-4(5H)-オン6,7-Dihydro-4(5H)-be7-Dihydro-4(5H)-benzofuranone2,3-Dihydro-4(5H)-benzofuranone4(5H)-Benzofuranone,6,7-dihydro-4-oxo-4,5,6,7-tetrahydrobenzofuran

SY045643EN300-528936,7-dihydro-5H-benzofuran-4-one4,5,6,7-tetrahydrobenzofuran-4-oneAM20090009P2BMF5ZH8W6,7-dihydrobenzofuran-4(5SCHEMBL333300

データベース識別子

CAS: 16806-93-2
PubChem CID: 2733541
DTXSID: DTXSID50369932
ChEBI: CHEBI:194769
UNII: P2BMF5ZH8W
EC Number: 959-960-2
Nikkaji: J671.496J

物性

構造計算による物性

XLogP: 1.1
極性表面積: 30.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 30 · 30-34 °C (lit.)
沸点: 115 · 115-118 °C/16 mmHg (lit.)
比重(密度): 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
屈折率: 1.53 · 1.53-1.532
闪点: 230 °F · >230 °F
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
外見: 液体
比重: 1.162 · 1.162
色: クリアイエロー～ブラウン
InChI: InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N
SMILES: O1C2CCCC(=O)C=2C=C1
CAS データベース: 16806 · 16806-93-2(CAS DataBase Reference)

化学的性質

化学的特性clear yellow to brown low melting solid or liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29143900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.

一般的な説明6,7-Dihydro-4(5H)-benzofuranone is a benzofuran derivative that consists of fused benzene and furan ring. Its standard molar enthalpy of formation by static bomb calorimetry and standard molar enthalpy of vaporization using Calvet microcalorimetry has been measured. These values have been used to derive the standard molar enthalpy of formation in gaseous phase.