5-아세틸-2,3-디히드로벤조(B)푸란

1-(2,3-Dihydro-5-benzofuranyl)ethanone

HCID 145220CAS 90843-31-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc2c(c1)CCO2
InChIKey: MMVUJVASBDVNGJ-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 1-(2,3-Dihydro-5-benzofuranyl)ethanone
IUPAC: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
현지명: 5-아세틸-2,3-디히드로벤조(B)푸란
영어명: 5-Acetyl-2,3-dihydrobenzo(b)furan
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

90843-31-51-(2,3-Dihydro-5-benzofuranyl)ethanoneDTXSID80238304RefChem:222786DTXCID601607955-acetyl-2,3-dihydrobenzo[b]furan5-Acetyl-2,3-dihydrobenzofuran1-(2,3-dihydro-1-benzofuran-5-yl)ethanone5-Acetyl-2,3-Dihydrobenzo(B)Furan1-(2,3-dihydrobenzofuran-5-yl)ethanoneMFCD000680335-acetyl-2,3-dihydro-1-benzofuran

이름 더 보기

5-아세틸-2,3-디히드로벤조(B)푸란5-acetylcoumaranCompound Fr13980BUTTPARK 92\04-30Tolafentrine Impurity 175-Acetyl-2,3-dihydrobenzobüfuran, 97%5-Acetyl-2,3-dihydrobenzo(b)furan,97%

Maybridge1_0048021-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneHMS555C065-Acetyl-2, 3-dihydrobenzofuran5-acetyl-2,3-dihydroben-zofuranGEO-000301-(2,3-dihydro-5-benzofuranyl)-ethanoneZ212063108

데이터베이스 식별자

CAS: 90843-31-5
PubChem CID: 145220
DTXSID: DTXSID80238304
EC Number: 674-950-5
Nikkaji: J1.908.555D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 56 · 56-59°C
끓는 점: 120 · 120-121°C 15mm
밀도: 1.149 · 1.149±0.06 g/cm3(Predicted)
인화점: 120 · 120-121°C/15mm
저장 조건: Sealed in dry,Room Temperature
BRN: 131198 · 131198

화학적 성질

White to light purple powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

안전 데이터

HS 번호: 29349990
risk_code: 22-51
hazard_code: Xn
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도1-(2,3-Dihydro-5-benzofuranyl)ethanone is used to prepare tricyclic [1,2,4]triazine 1,4-dioxides as hypoxia selective cytotoxins. It is also used to synthesize N-(1-benzo[1,3]dioxol-5-yl)ethyl-, N-[1-(2,3-dihydro-benzofuran-5-yl)ethyl-, and N-[1-(2,3-dihydro-1H-indol-5-yl)ethylacrylamides with KCNQ2 opener activities.