6,7-디하이드로-4(5H)-벤조푸라논

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

HCID 2733541

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16806-93-2
표준 SMILES: O=C1CCCc2occc21
InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N
분자식: C8H8O2
평균 분자량: 136.15 g/mol
단동위원소 질량: 136.0524295

개요

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

이름 및 식별자

우선 이름: 4,5,6,7-Tetrahydro-1-benzofuran-4-one
IUPAC: 6,7-dihydro-5H-1-benzofuran-4-one
현지명: 6,7-디하이드로-4(5H)-벤조푸라논
영어명: 6,7-Dihydro-4(5H)-benzofuranone
분자식: C8H8O2
분자량: 136.15

이름 및 동의어

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

이름 더 보기

6,7-디하이드로-4(5H)-벤조푸라논6,7-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 30 · 30-34 °C (lit.)
끓는 점: 115 · 115-118 °C/16 mmHg (lit.)
밀도: 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
굴절률: 1.53 · 1.53-1.532
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: 액체
Specific Gravity: 1.162 · 1.162
색상: 투명한 노란색에서 갈색까지
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

화학적 성질

clear yellow to brown low melting solid or liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29143900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.

일반 설명6,7-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.